6-(2-methylpropyl)-4-[3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

C17H23N5O2 — CID 166202000

IUPAC6-(2-methylpropyl)-4-[3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CCCC(c3ncn[nH]3)C2)cc(=O)[nH]1
InChIInChI=1S/C17H23N5O2/c1-11(2)6-14-7-13(8-15(23)20-14)17(24)22-5-3-4-12(9-22)16-18-10-19-21-16/h7-8,10-12H,3-6,9H2,1-2H3,(H,20,23)(H,18,19,21)
InChIKeyPEBZHPDEBWXRJH-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.71
Rot. Bonds4

About 6-(2-methylpropyl)-4-[3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

6-(2-methylpropyl)-4-[3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 166202000) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-(2-methylpropyl)-4-[3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2-methylpropyl)-4-[3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID166202000
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name6-(2-methylpropyl)-4-[3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CCCC(c3ncn[nH]3)C2)cc(=O)[nH]1
InChIInChI=1S/C17H23N5O2/c1-11(2)6-14-7-13(8-15(23)20-14)17(24)22-5-3-4-12(9-22)16-18-10-19-21-16/h7-8,10-12H,3-6,9H2,1-2H3,(H,20,23)(H,18,19,21)
InChIKeyPEBZHPDEBWXRJH-UHFFFAOYSA-N
XLogP1.71
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(2-methylpropyl)-4-[3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

6-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 99947738
6-(2-methylpropyl)-4-(4-pyrazol-1-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 75446934
1-methyl-3-[2-oxo-2-[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 126438932
[1-(4-methylbenzoyl)piperidin-4-yl]-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 131918079
tert-butyl 3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
CID 57080110
2-morpholin-4-yl-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 90650699
3,4-dimethyl-7-[3-(1H-1,2,4-triazol-5-yl)pyrrolidine-1-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 128894649
(3,5-difluorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125011983
4-ethyl-2-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136734998
4-ethyl-2-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136707434
1-[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 120512917
(1-pyrrolidin-1-ylcyclopentyl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 131923801

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-4-[3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-(2-methylpropyl)-4-[3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 166202000) is 6-(2-methylpropyl)-4-[3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(2-methylpropyl)-4-[3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-(2-methylpropyl)-4-[3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is CC(C)Cc1cc(C(=O)N2CCCC(c3ncn[nH]3)C2)cc(=O)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-4-[3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is PEBZHPDEBWXRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11(2)6-14-7-13(8-15(23)20-14)17(24)22-5-3-4-12(9-22)16-18-10-19-21-16/h7-8,10-12H,3-6,9H2,1-2H3,(H,20,23)(H,18,19,21).
What are the key properties of 6-(2-methylpropyl)-4-[3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
6-(2-methylpropyl)-4-[3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 329.40 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-4-[3-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 166202000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).