A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Alogliptin are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the Alogliptin?

The molecule Alogliptin presents a molecular formula of C18H21N5O2 and its IUPAC name is 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile.

Alogliptin is a medication used to treat type 2 diabetes. It works by increasing levels of incretins, hormones that help regulate blood sugar levels. Alogliptin is usually taken together with other diabetes medications..

Common side effects of alogliptin include headache, nausea, and diarrhea. Alogliptin can also cause low blood sugar levels. This is more likely to occur if you also take other diabetes medications or if you have kidney problems. Low blood sugar levels can cause symptoms such as shaking, sweating, and fast heartbeat..

If you experience any of these side effects, stop taking alogliptin and call your doctor right away..

3D structure

Cartesian coordinates

Geometry of Alogliptin in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing


Alogliptin ZSBOMTDTBDDKMP-OAHLLOKOSA-N chemical compound 2D structure molecule svg


Molecule descriptors

IUPAC name2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile
InChI codeInChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

  • (R)-2-((6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile
  • 1246610-75-2
  • 2-((6-((3R)-3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl) benzonitrile
  • 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}methyl)benzonitrile
  • 2-({6-[(3r)-3-Aminopiperidin-1-Yl]-3-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl}methyl)benzonitrile
  • 2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile
  • 2-{6-[3(R)-Amino-piperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl}-benzonitrile
  • 850649-61-5
  • AC-26300
  • AMY22119
  • AS-19582
  • Alogliptin
  • Alogliptin (SYR-322)
  • Alogliptin pound SYR-322 pound(c)
  • BDBM16285
  • CCG-267914
  • CCG-267915
  • CS-1617
  • DB06203
  • EX-A5446
  • GTPL6319
  • HSDB 8203
  • HY-A0023A
  • JHC049LO86
  • MFCD09833196
  • NCGC00386215-05
  • Q4734170
  • SW219186-1
  • SYR322
  • alogliptina
  • alogliptine
  • alogliptinum
  • s2868
  • s5365
  • vipidia

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC14961096
  • UNII-JHC049LO86
  • AKOS025149226
  • BRD-K83003151-057-02-4
  • DTXSID90234130
  • CHEMBL376359
  • CHEBI:72323
  • SCHEMBL121028

Physico-Chemical properties

IUPAC name2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile
Molecular formulaC18H21N5O2
Molecular weight339.392
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity98.84
Topological polar surface area97.1

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.