1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C15H20ClN5O — CID 119387980

IUPAC1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1cccc(-n2cc(C(=O)NC3CCNCC3)nn2)c1.Cl
InChIInChI=1S/C15H19N5O.ClH/c1-11-3-2-4-13(9-11)20-10-14(18-19-20)15(21)17-12-5-7-16-8-6-12;/h2-4,9-10,12,16H,5-8H2,1H3,(H,17,21);1H
InChIKeyXOUQVLCAURRKMK-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.48
Rot. Bonds3

About 1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride

1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119387980) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119387980
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1cccc(-n2cc(C(=O)NC3CCNCC3)nn2)c1.Cl
InChIInChI=1S/C15H19N5O.ClH/c1-11-3-2-4-13(9-11)20-10-14(18-19-20)15(21)17-12-5-7-16-8-6-12;/h2-4,9-10,12,16H,5-8H2,1H3,(H,17,21);1H
InChIKeyXOUQVLCAURRKMK-UHFFFAOYSA-N
XLogP1.48
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride 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

cis-(1S,3R)-3-[[1-(3-methylphenyl)triazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674914
1-(3-nitrophenyl)-N-pyrrolidin-3-yltriazole-4-carboxamide
CID 119453027
1-phenyl-N-piperidin-3-yltriazole-4-carboxamide
CID 119425815
N-[2-(ethylamino)ethyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 119506900
1-(3-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide
CID 119531389
N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 111429573
N-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide
CID 42362299
[(3R)-3-hydroxypyrrolidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 111561076
4-[(1-phenyltriazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230187
N-cyclohexyl-1-(4-fluoro-3-methylphenyl)triazole-4-carboxamide
CID 53332665
N-[2-(methylamino)propyl]-1-(3-methylphenyl)triazole-4-carboxamide;hydrochloride
CID 120831934
[3-(methylamino)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 119490474

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119387980) is 1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1cccc(-n2cc(C(=O)NC3CCNCC3)nn2)c1.Cl.
What is the InChIKey of 1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is XOUQVLCAURRKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.ClH/c1-11-3-2-4-13(9-11)20-10-14(18-19-20)15(21)17-12-5-7-16-8-6-12;/h2-4,9-10,12,16H,5-8H2,1H3,(H,17,21);1H.
What are the key properties of 1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 321.81 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119387980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).