6-[3-(3-anilinopiperidin-1-yl)-3-oxopropyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C20H24N6O2 — CID 154863361

IUPAC6-[3-(3-anilinopiperidin-1-yl)-3-oxopropyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc[nH]n2c(=O)c1CCC(=O)N1CCCC(Nc2ccccc2)C1
InChIInChI=1S/C20H24N6O2/c1-14-17(19(28)26-20(23-14)21-13-22-26)9-10-18(27)25-11-5-8-16(12-25)24-15-6-3-2-4-7-15/h2-4,6-7,13,16,24H,5,8-12H2,1H3,(H,21,22,23)
InChIKeyJMMCETDMHZYBGY-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.76
Rot. Bonds5

About 6-[3-(3-anilinopiperidin-1-yl)-3-oxopropyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6-[3-(3-anilinopiperidin-1-yl)-3-oxopropyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 154863361) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 6-[3-(3-anilinopiperidin-1-yl)-3-oxopropyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[3-(3-anilinopiperidin-1-yl)-3-oxopropyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID154863361
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name6-[3-(3-anilinopiperidin-1-yl)-3-oxopropyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc[nH]n2c(=O)c1CCC(=O)N1CCCC(Nc2ccccc2)C1
InChIInChI=1S/C20H24N6O2/c1-14-17(19(28)26-20(23-14)21-13-22-26)9-10-18(27)25-11-5-8-16(12-25)24-15-6-3-2-4-7-15/h2-4,6-7,13,16,24H,5,8-12H2,1H3,(H,21,22,23)
InChIKeyJMMCETDMHZYBGY-UHFFFAOYSA-N
XLogP1.76
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-methoxyanilino)piperidin-1-yl]propan-1-one
CID 45188207
1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one
CID 24791061
N-(4-hydroxyphenyl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 42569443
1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 120705047
1-[(3S)-3-anilinopiperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 42216952
N-(1-hydroxy-3-phenylpropan-2-yl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 91641148
3-[3-oxo-3-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one
CID 42454819
methyl (2S)-2-[3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-3-phenylpropanoate
CID 91640715
4-methyl-5-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 137064323
2-(1-benzoylpyrrolidin-3-yl)-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 127244643
N-cyclopropyl-2-[4,6-dimethyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidin-5-yl]acetamide
CID 110083297
1-(3-anilinopiperidin-1-yl)-2-pyridin-4-ylsulfanylethanone
CID 75384358

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-anilinopiperidin-1-yl)-3-oxopropyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[3-(3-anilinopiperidin-1-yl)-3-oxopropyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 154863361) is 6-[3-(3-anilinopiperidin-1-yl)-3-oxopropyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[3-(3-anilinopiperidin-1-yl)-3-oxopropyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[3-(3-anilinopiperidin-1-yl)-3-oxopropyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc[nH]n2c(=O)c1CCC(=O)N1CCCC(Nc2ccccc2)C1.
What is the InChIKey of 6-[3-(3-anilinopiperidin-1-yl)-3-oxopropyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JMMCETDMHZYBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-14-17(19(28)26-20(23-14)21-13-22-26)9-10-18(27)25-11-5-8-16(12-25)24-15-6-3-2-4-7-15/h2-4,6-7,13,16,24H,5,8-12H2,1H3,(H,21,22,23).
What are the key properties of 6-[3-(3-anilinopiperidin-1-yl)-3-oxopropyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-[3-(3-anilinopiperidin-1-yl)-3-oxopropyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 380.45 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-anilinopiperidin-1-yl)-3-oxopropyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 154863361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).