1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide

C15H16F3N5O — CID 119671254

IUPAC1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)10-2-1-3-11(8-10)20-14(24)13-9-23(22-21-13)12-4-6-19-7-5-12/h1-3,8-9,12,19H,4-7H2,(H,20,24)
InChIKeyYHPMRHGDXOGNIH-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.47
Rot. Bonds3

About 1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide

1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (PubChem CID 119671254) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
PubChem CID119671254
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC Name1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)10-2-1-3-11(8-10)20-14(24)13-9-23(22-21-13)12-4-6-19-7-5-12/h1-3,8-9,12,19H,4-7H2,(H,20,24)
InChIKeyYHPMRHGDXOGNIH-UHFFFAOYSA-N
XLogP2.47
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119771408
methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119679642
1-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]triazole-4-carboxamide
CID 119806404
N-(3-phenoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673234
1-piperidin-4-yl-N-(3-thiophen-2-ylphenyl)triazole-4-carboxamide;hydrochloride
CID 119708561
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide
CID 119707993
1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride
CID 119698611
N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614
N-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119685390
N-[3-(1,3-oxazol-5-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119399827
N-[3-(cyclopentylsulfanylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119801054

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide (CID 119671254) is 1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
The InChIKey is YHPMRHGDXOGNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c16-15(17,18)10-2-1-3-11(8-10)20-14(24)13-9-23(22-21-13)12-4-6-19-7-5-12/h1-3,8-9,12,19H,4-7H2,(H,20,24).
What are the key properties of 1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide?
1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 119671254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).