N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide

C14H16ClN5O — CID 63282984

IUPACN-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H16ClN5O/c15-11-3-1-2-4-12(11)17-14(21)13-9-20(19-18-13)10-5-7-16-8-6-10/h1-4,9-10,16H,5-8H2,(H,17,21)
InChIKeyNKDAFWQZEWNATQ-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.11
Rot. Bonds3

About N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide

N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 63282984) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID63282984
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC NameN-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H16ClN5O/c15-11-3-1-2-4-12(11)17-14(21)13-9-20(19-18-13)10-5-7-16-8-6-10/h1-4,9-10,16H,5-8H2,(H,17,21)
InChIKeyNKDAFWQZEWNATQ-UHFFFAOYSA-N
XLogP2.11
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-chlorophenyl)-1-piperidin-4-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

N-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119696321
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119707837
N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119707297
1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide
CID 75419659
N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714079
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119745115
1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119819422
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119717745
N-(2,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673265
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119697730

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 63282984) is N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide is O=C(Nc1ccccc1Cl)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is NKDAFWQZEWNATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c15-11-3-1-2-4-12(11)17-14(21)13-9-20(19-18-13)10-5-7-16-8-6-10/h1-4,9-10,16H,5-8H2,(H,17,21).
What are the key properties of N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 63282984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).