N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C16H22ClN5O — CID 119669252

IUPACN-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1ccc(C)c(NC(=O)c2cn(C3CCNCC3)nn2)c1.Cl
InChIInChI=1S/C16H21N5O.ClH/c1-11-3-4-12(2)14(9-11)18-16(22)15-10-21(20-19-15)13-5-7-17-8-6-13;/h3-4,9-10,13,17H,5-8H2,1-2H3,(H,18,22);1H
InChIKeyDSOOEGSPGSHPLX-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.49
Rot. Bonds3

About N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119669252) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119669252
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC NameN-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1ccc(C)c(NC(=O)c2cn(C3CCNCC3)nn2)c1.Cl
InChIInChI=1S/C16H21N5O.ClH/c1-11-3-4-12(2)14(9-11)18-16(22)15-10-21(20-19-15)13-5-7-17-8-6-13;/h3-4,9-10,13,17H,5-8H2,1-2H3,(H,18,22);1H
InChIKeyDSOOEGSPGSHPLX-UHFFFAOYSA-N
XLogP2.49
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-(2-methoxy-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119740560
N-(2-methyl-5-nitrophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670857
N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119709473
N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614
N-(4-methyl-2-phenylmethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119726785
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119743239
N-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119769723
1-(azetidin-3-yl)-N-(2-bromo-5-methylphenyl)triazole-4-carboxamide
CID 82756878
N-(2,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673265
N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119707297
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119669252) is N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1ccc(C)c(NC(=O)c2cn(C3CCNCC3)nn2)c1.Cl.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is DSOOEGSPGSHPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.ClH/c1-11-3-4-12(2)14(9-11)18-16(22)15-10-21(20-19-15)13-5-7-17-8-6-13;/h3-4,9-10,13,17H,5-8H2,1-2H3,(H,18,22);1H.
What are the key properties of N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 335.84 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119669252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).