5-cyclopropyl-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide

C24H25N5O2 — CID 86958756

IUPAC5-cyclopropyl-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCN(C(=O)c1nc(C2CC2)n(-c2ccccc2)n1)C1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C24H25N5O2/c1-27(20-13-8-16-28(23(20)30)18-9-4-2-5-10-18)24(31)21-25-22(17-14-15-17)29(26-21)19-11-6-3-7-12-19/h2-7,9-12,17,20H,8,13-16H2,1H3
InChIKeyHMRJQOHFZRQLLD-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.41
Rot. Bonds5

About 5-cyclopropyl-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide

5-cyclopropyl-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 86958756) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 5-cyclopropyl-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID86958756
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name5-cyclopropyl-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESCN(C(=O)c1nc(C2CC2)n(-c2ccccc2)n1)C1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C24H25N5O2/c1-27(20-13-8-16-28(23(20)30)18-9-4-2-5-10-18)24(31)21-25-22(17-14-15-17)29(26-21)19-11-6-3-7-12-19/h2-7,9-12,17,20H,8,13-16H2,1H3
InChIKeyHMRJQOHFZRQLLD-UHFFFAOYSA-N
XLogP3.41
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

1-hydroxy-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 111389802
1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide
CID 119792199
(4-tert-butylazepan-1-yl)-(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)methanone
CID 86961357
4-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide
CID 119328406
(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 95157198
5-cyclopropyl-N-methyl-N-(3-methylsulfonylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 75470449
2-methoxy-N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95303783
N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]quinoxaline-2-carboxamide
CID 95618514
(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86946887
5-cyclopropyl-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 86881324
2-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide
CID 119328400
5-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 111332085

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide (CID 86958756) is 5-cyclopropyl-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide is CN(C(=O)c1nc(C2CC2)n(-c2ccccc2)n1)C1CCCN(c2ccccc2)C1=O.
What is the InChIKey of 5-cyclopropyl-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is HMRJQOHFZRQLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-27(20-13-8-16-28(23(20)30)18-9-4-2-5-10-18)24(31)21-25-22(17-14-15-17)29(26-21)19-11-6-3-7-12-19/h2-7,9-12,17,20H,8,13-16H2,1H3.
What are the key properties of 5-cyclopropyl-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
5-cyclopropyl-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 86958756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).