1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide

C15H19N5O — CID 119461356

IUPAC1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCC1CCCNC1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H19N5O/c21-15(17-10-12-5-4-8-16-9-12)14-11-20(19-18-14)13-6-2-1-3-7-13/h1-3,6-7,11-12,16H,4-5,8-10H2,(H,17,21)
InChIKeyQCUGAYHFBTVGBH-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.00
Rot. Bonds4

About 1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide

1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide (PubChem CID 119461356) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
PubChem CID119461356
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCC1CCCNC1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H19N5O/c21-15(17-10-12-5-4-8-16-9-12)14-11-20(19-18-14)13-6-2-1-3-7-13/h1-3,6-7,11-12,16H,4-5,8-10H2,(H,17,21)
InChIKeyQCUGAYHFBTVGBH-UHFFFAOYSA-N
XLogP1.00
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)triazole-4-carboxamide;hydrochloride
CID 119463346
N-(piperidin-3-ylmethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119464473
1-phenyl-N-piperidin-3-yltriazole-4-carboxamide
CID 119425815
3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119462686
1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]triazole-4-carboxamide
CID 43071245
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
N-(piperidin-3-ylmethyl)-4-pyrazol-1-ylbenzamide
CID 119461275
3-phenyl-N-(piperidin-3-ylmethyl)imidazole-4-carboxamide
CID 119464372
2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119462671
3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460021
1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119461402
1-phenyl-N-(piperidin-3-ylmethyl)-3-pyridin-3-ylpyrazole-4-carboxamide;dihydrochloride
CID 119459838

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide (CID 119461356) is 1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide is O=C(NCC1CCCNC1)c1cn(-c2ccccc2)nn1.
What is the InChIKey of 1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide?
The InChIKey is QCUGAYHFBTVGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c21-15(17-10-12-5-4-8-16-9-12)14-11-20(19-18-14)13-6-2-1-3-7-13/h1-3,6-7,11-12,16H,4-5,8-10H2,(H,17,21).
What are the key properties of 1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide?
1-phenyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.00, 4 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-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 119461356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).