1-phenyl-N-piperidin-3-yltriazole-4-carboxamide

C14H17N5O — CID 119425815

IUPAC1-phenyl-N-piperidin-3-yltriazole-4-carboxamide
SMILESO=C(NC1CCCNC1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C14H17N5O/c20-14(16-11-5-4-8-15-9-11)13-10-19(18-17-13)12-6-2-1-3-7-12/h1-3,6-7,10-11,15H,4-5,8-9H2,(H,16,20)
InChIKeyHHIBBLBPGCPPJH-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.75
Rot. Bonds3

About 1-phenyl-N-piperidin-3-yltriazole-4-carboxamide

1-phenyl-N-piperidin-3-yltriazole-4-carboxamide (PubChem CID 119425815) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-phenyl-N-piperidin-3-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-piperidin-3-yltriazole-4-carboxamide
PubChem CID119425815
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-phenyl-N-piperidin-3-yltriazole-4-carboxamide
SMILESO=C(NC1CCCNC1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C14H17N5O/c20-14(16-11-5-4-8-15-9-11)13-10-19(18-17-13)12-6-2-1-3-7-12/h1-3,6-7,10-11,15H,4-5,8-9H2,(H,16,20)
InChIKeyHHIBBLBPGCPPJH-UHFFFAOYSA-N
XLogP0.75
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-phenyl-N-piperidin-3-yltriazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 119461356
1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119429116
4-[(1-phenyltriazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230187
1-phenyl-N-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide
CID 28742838
N-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide
CID 104927751
1-(3-nitrophenyl)-N-pyrrolidin-3-yltriazole-4-carboxamide
CID 119453027
1-(4-aminocyclohexyl)-N-[(3S)-piperidin-3-yl]triazole-4-carboxamide
CID 70768511
1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119387980
N-piperidin-3-ylbenzamide
CID 22017045
2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide
CID 119424441
N-(1-oxaspiro[4.5]decan-3-yl)-1-phenyltriazole-4-carboxamide
CID 56901358
N-[(3R)-piperidin-3-yl]quinoxaline-2-carboxamide
CID 105061101

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-piperidin-3-yltriazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-piperidin-3-yltriazole-4-carboxamide (CID 119425815) is 1-phenyl-N-piperidin-3-yltriazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-piperidin-3-yltriazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-piperidin-3-yltriazole-4-carboxamide is O=C(NC1CCCNC1)c1cn(-c2ccccc2)nn1.
What is the InChIKey of 1-phenyl-N-piperidin-3-yltriazole-4-carboxamide?
The InChIKey is HHIBBLBPGCPPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c20-14(16-11-5-4-8-15-9-11)13-10-19(18-17-13)12-6-2-1-3-7-12/h1-3,6-7,10-11,15H,4-5,8-9H2,(H,16,20).
What are the key properties of 1-phenyl-N-piperidin-3-yltriazole-4-carboxamide?
1-phenyl-N-piperidin-3-yltriazole-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-piperidin-3-yltriazole-4-carboxamide is sourced from PubChem (CID 119425815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).