1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide

C14H14F3N5O — CID 119707993

IUPAC1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H14F3N5O/c15-10-5-8(6-11(16)13(10)17)19-14(23)12-7-22(21-20-12)9-1-3-18-4-2-9/h5-7,9,18H,1-4H2,(H,19,23)
InChIKeyNDMVCRMLWFEWCR-UHFFFAOYSA-N
MW325.29 g/mol
LogP1.87
Rot. Bonds3

About 1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide

1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide (PubChem CID 119707993) has the molecular formula C14H14F3N5O and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide
PubChem CID119707993
Molecular FormulaC14H14F3N5O
Molecular Weight325.29 g/mol
Exact Mass325.12
IUPAC Name1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H14F3N5O/c15-10-5-8(6-11(16)13(10)17)19-14(23)12-7-22(21-20-12)9-1-3-18-4-2-9/h5-7,9,18H,1-4H2,(H,19,23)
InChIKeyNDMVCRMLWFEWCR-UHFFFAOYSA-N
XLogP1.87
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673884
N-(2,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673265
N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119707837
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-(4-bromo-2-fluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673430
1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119671254
N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614
N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119702447
N-[1-(2-fluorophenyl)pyrazol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119794282
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119702697

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide (CID 119707993) is 1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide is O=C(Nc1cc(F)c(F)c(F)c1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide?
The InChIKey is NDMVCRMLWFEWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O/c15-10-5-8(6-11(16)13(10)17)19-14(23)12-7-22(21-20-12)9-1-3-18-4-2-9/h5-7,9,18H,1-4H2,(H,19,23).
What are the key properties of 1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide?
1-piperidin-4-yl-N-(3,4,5-trifluorophenyl)triazole-4-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 1.87, 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-(3,4,5-trifluorophenyl)triazole-4-carboxamide is sourced from PubChem (CID 119707993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).