N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C17H23ClN6O2 — CID 119714079

IUPACN-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCNC(=O)c1ccccc1NC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C17H22N6O2.ClH/c1-2-19-16(24)13-5-3-4-6-14(13)20-17(25)15-11-23(22-21-15)12-7-9-18-10-8-12;/h3-6,11-12,18H,2,7-10H2,1H3,(H,19,24)(H,20,25);1H
InChIKeyYXKMRYNLKNOPFR-UHFFFAOYSA-N
MW378.86 g/mol
LogP1.63
Rot. Bonds5

About N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119714079) has the molecular formula C17H23ClN6O2 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119714079
Molecular FormulaC17H23ClN6O2
Molecular Weight378.86 g/mol
Exact Mass378.16
IUPAC NameN-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCNC(=O)c1ccccc1NC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C17H22N6O2.ClH/c1-2-19-16(24)13-5-3-4-6-14(13)20-17(25)15-11-23(22-21-15)12-7-9-18-10-8-12;/h3-6,11-12,18H,2,7-10H2,1H3,(H,19,24)(H,20,25);1H
InChIKeyYXKMRYNLKNOPFR-UHFFFAOYSA-N
XLogP1.63
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119819422
N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119707837
N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669252
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119717744
N-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119696321
N-(5-chloro-2-ethylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119776568
N-(4-methyl-2-phenylmethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119726785
1-piperidin-4-yl-N-[[2-(propoxymethyl)phenyl]methyl]triazole-4-carboxamide
CID 119734208

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119714079) is N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCNC(=O)c1ccccc1NC(=O)c1cn(C2CCNCC2)nn1.Cl.
What is the InChIKey of N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is YXKMRYNLKNOPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2.ClH/c1-2-19-16(24)13-5-3-4-6-14(13)20-17(25)15-11-23(22-21-15)12-7-9-18-10-8-12;/h3-6,11-12,18H,2,7-10H2,1H3,(H,19,24)(H,20,25);1H.
What are the key properties of N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 378.86 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119714079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).