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

C17H23N5O2 — CID 129487501

IUPAC6-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1[nH]c(=O)ccc1C(=O)N1CCCC[C@H]1c1nc(C(C)C)n[nH]1
InChIInChI=1S/C17H23N5O2/c1-10(2)15-19-16(21-20-15)13-6-4-5-9-22(13)17(24)12-7-8-14(23)18-11(12)3/h7-8,10,13H,4-6,9H2,1-3H3,(H,18,23)(H,19,20,21)/t13-/m0/s1
InChIKeyUAOMOFGVYAGCDN-ZDUSSCGKSA-N
MW329.40 g/mol
LogP2.29
Rot. Bonds3

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

6-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 129487501) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID129487501
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name6-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1[nH]c(=O)ccc1C(=O)N1CCCC[C@H]1c1nc(C(C)C)n[nH]1
InChIInChI=1S/C17H23N5O2/c1-10(2)15-19-16(21-20-15)13-6-4-5-9-22(13)17(24)12-7-8-14(23)18-11(12)3/h7-8,10,13H,4-6,9H2,1-3H3,(H,18,23)(H,19,20,21)/t13-/m0/s1
InChIKeyUAOMOFGVYAGCDN-ZDUSSCGKSA-N
XLogP2.29
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 129492381
(2,6-dimethoxy-3-pyridinyl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 87052077
[3-fluoro-4-(hydroxymethyl)phenyl]-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129487546
6-methyl-5-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 128991948
(3,6-dichloropyridazin-4-yl)-[(2S)-2-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 178145605
2-[(2R)-1-(2-methylbenzoyl)piperidin-2-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136763325
3-methyl-5-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole
CID 125143240
5-methyl-4-[[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 129492290
3-[1-(5-acetylthiophene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136548261
3-propan-2-yl-5-[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]-1H-1,2,4-triazole
CID 91653844
3-[1-(2,3-dihydro-1H-indene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137204940
3-[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137242367

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 129487501) is 6-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1[nH]c(=O)ccc1C(=O)N1CCCC[C@H]1c1nc(C(C)C)n[nH]1.
What is the InChIKey of 6-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is UAOMOFGVYAGCDN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-10(2)15-19-16(21-20-15)13-6-4-5-9-22(13)17(24)12-7-8-14(23)18-11(12)3/h7-8,10,13H,4-6,9H2,1-3H3,(H,18,23)(H,19,20,21)/t13-/m0/s1.
What are the key properties of 6-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
6-methyl-5-[(2S)-2-(3-propan-2-yl-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 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 129487501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).