N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C15H20ClN5O — CID 119670454

IUPACN-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1ccccc1NC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C15H19N5O.ClH/c1-11-4-2-3-5-13(11)17-15(21)14-10-20(19-18-14)12-6-8-16-9-7-12;/h2-5,10,12,16H,6-9H2,1H3,(H,17,21);1H
InChIKeyCOQYYGMTKQWRMW-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.19
Rot. Bonds3

About N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119670454) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119670454
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC NameN-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1ccccc1NC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C15H19N5O.ClH/c1-11-4-2-3-5-13(11)17-15(21)14-10-20(19-18-14)12-6-8-16-9-7-12;/h2-5,10,12,16H,6-9H2,1H3,(H,17,21);1H
InChIKeyCOQYYGMTKQWRMW-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669252
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119707297
N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714079
N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119709473
1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide
CID 75419659
N-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119769723
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119717744
N-(2-methyl-5-nitrophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670857
N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119707837
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119717745
1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119819422

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119670454) is N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1ccccc1NC(=O)c1cn(C2CCNCC2)nn1.Cl.
What is the InChIKey of N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is COQYYGMTKQWRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.ClH/c1-11-4-2-3-5-13(11)17-15(21)14-10-20(19-18-14)12-6-8-16-9-7-12;/h2-5,10,12,16H,6-9H2,1H3,(H,17,21);1H.
What are the key properties of N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 321.81 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119670454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).