N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide

C21H23N5O — CID 42692501

IUPACN-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C21H23N5O/c27-21(20-22-16-26(24-20)19-9-5-2-6-10-19)23-18-11-13-25(14-12-18)15-17-7-3-1-4-8-17/h1-10,16,18H,11-15H2,(H,23,27)
InChIKeyQOCOBTSNRDBOFQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.66
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide

N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 42692501) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID42692501
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ncn(-c2ccccc2)n1
InChIInChI=1S/C21H23N5O/c27-21(20-22-16-26(24-20)19-9-5-2-6-10-19)23-18-11-13-25(14-12-18)15-17-7-3-1-4-8-17/h1-10,16,18H,11-15H2,(H,23,27)
InChIKeyQOCOBTSNRDBOFQ-UHFFFAOYSA-N
XLogP2.66
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42880791
cis-(1R,3S)-3-[(1-phenyl-1,2,4-triazole-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677931
4-(benzimidazol-1-ylmethyl)-N-[4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]benzamide
CID 91278506
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
CID 25333072
3-benzyl-N-(1-benzylpiperidin-4-yl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 110496579
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 136519450
N-(1-benzylpiperidin-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 25392161
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide (CID 42692501) is N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ncn(-c2ccccc2)n1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is QOCOBTSNRDBOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21(20-22-16-26(24-20)19-9-5-2-6-10-19)23-18-11-13-25(14-12-18)15-17-7-3-1-4-8-17/h1-10,16,18H,11-15H2,(H,23,27).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42692501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).