(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide

C21H30N6O2 — CID 97339609

IUPAC(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide
SMILESCc1ccn(C)c(=O)c1NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1
InChIInChI=1S/C21H30N6O2/c1-14-10-12-26(2)20(28)17(14)22-21(29)27-11-6-9-16(13-27)19-23-18(24-25-19)15-7-4-3-5-8-15/h10,12,15-16H,3-9,11,13H2,1-2H3,(H,22,29)(H,23,24,25)/t16-/m0/s1
InChIKeyIOHBPANRUATSNG-INIZCTEOSA-N
MW398.51 g/mol
LogP3.27
Rot. Bonds3

About (3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide

(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide (PubChem CID 97339609) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is (3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide
PubChem CID97339609
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide
SMILESCc1ccn(C)c(=O)c1NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1
InChIInChI=1S/C21H30N6O2/c1-14-10-12-26(2)20(28)17(14)22-21(29)27-11-6-9-16(13-27)19-23-18(24-25-19)15-7-4-3-5-8-15/h10,12,15-16H,3-9,11,13H2,1-2H3,(H,22,29)(H,23,24,25)/t16-/m0/s1
InChIKeyIOHBPANRUATSNG-INIZCTEOSA-N
XLogP3.27
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide
CID 75476886
(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide
CID 97350725
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 167760849
(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-4-methylpiperazine-1-carboxamide
CID 129344812
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylpiperidine-1-carboxamide
CID 86803953
1-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone
CID 132972299
(3S)-N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97321208
3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxamide
CID 74236414
(2-hydroxyphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 71917923
(3R)-N-(6-cyano-3-pyridinyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 125168413
[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 53192223
[(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 97339722

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide (CID 97339609) is (3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide is Cc1ccn(C)c(=O)c1NC(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1.
What is the InChIKey of (3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide?
The InChIKey is IOHBPANRUATSNG-INIZCTEOSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-14-10-12-26(2)20(28)17(14)22-21(29)27-11-6-9-16(13-27)19-23-18(24-25-19)15-7-4-3-5-8-15/h10,12,15-16H,3-9,11,13H2,1-2H3,(H,22,29)(H,23,24,25)/t16-/m0/s1.
What are the key properties of (3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide?
(3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 97339609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).