2-phenyl-N-piperidin-4-yltriazole-4-carboxamide

C14H17N5O — CID 43345759

IUPAC2-phenyl-N-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NC1CCNCC1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H17N5O/c20-14(17-11-6-8-15-9-7-11)13-10-16-19(18-13)12-4-2-1-3-5-12/h1-5,10-11,15H,6-9H2,(H,17,20)
InChIKeyKRMKKCLNKKZOCZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.75
Rot. Bonds3

About 2-phenyl-N-piperidin-4-yltriazole-4-carboxamide

2-phenyl-N-piperidin-4-yltriazole-4-carboxamide (PubChem CID 43345759) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-phenyl-N-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-piperidin-4-yltriazole-4-carboxamide
PubChem CID43345759
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-phenyl-N-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NC1CCNCC1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H17N5O/c20-14(17-11-6-8-15-9-7-11)13-10-16-19(18-13)12-4-2-1-3-5-12/h1-5,10-11,15H,6-9H2,(H,17,20)
InChIKeyKRMKKCLNKKZOCZ-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

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Related Compounds

cis-(1S,3R)-3-[(2-phenyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120674958
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-phenyltriazole-4-carboxamide
CID 98783355
N-(3,3-dimethylcyclopentyl)-2-phenyltriazole-4-carboxamide
CID 115880818
N-(4-methylpiperidin-4-yl)-2-phenyltriazole-4-carboxamide
CID 114696468
2-phenyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119448479
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-phenyltriazole-4-carboxamide;hydrochloride
CID 120642088
N'-(cyclopropanecarbonyl)-2-phenyltriazole-4-carbohydrazide
CID 51175047
2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119558694
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-phenyltriazole-4-carboxamide
CID 114630914
2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide
CID 119825765
N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-2-phenyltriazole-4-carboxamide
CID 126935905
N-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-2-phenyltriazole-4-carboxamide
CID 91631721

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-piperidin-4-yltriazole-4-carboxamide (CID 43345759) is 2-phenyl-N-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-piperidin-4-yltriazole-4-carboxamide is O=C(NC1CCNCC1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is KRMKKCLNKKZOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c20-14(17-11-6-8-15-9-7-11)13-10-16-19(18-13)12-4-2-1-3-5-12/h1-5,10-11,15H,6-9H2,(H,17,20).
What are the key properties of 2-phenyl-N-piperidin-4-yltriazole-4-carboxamide?
2-phenyl-N-piperidin-4-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 2-phenyl-N-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 43345759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).