1-piperidin-4-yl-N-[4-(propan-2-ylsulfamoyl)phenyl]triazole-4-carboxamide;hydrochloride

C17H25ClN6O3S — CID 119685721

IUPAC1-piperidin-4-yl-N-[4-(propan-2-ylsulfamoyl)phenyl]triazole-4-carboxamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1.Cl
InChIInChI=1S/C17H24N6O3S.ClH/c1-12(2)21-27(25,26)15-5-3-13(4-6-15)19-17(24)16-11-23(22-20-16)14-7-9-18-10-8-14;/h3-6,11-12,14,18,21H,7-10H2,1-2H3,(H,19,24);1H
InChIKeyKSTGCEHYKLFYAX-UHFFFAOYSA-N
MW428.95 g/mol
LogP1.56
Rot. Bonds6

About 1-piperidin-4-yl-N-[4-(propan-2-ylsulfamoyl)phenyl]triazole-4-carboxamide;hydrochloride

1-piperidin-4-yl-N-[4-(propan-2-ylsulfamoyl)phenyl]triazole-4-carboxamide;hydrochloride (PubChem CID 119685721) has the molecular formula C17H25ClN6O3S and a molecular weight of 428.95 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[4-(propan-2-ylsulfamoyl)phenyl]triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[4-(propan-2-ylsulfamoyl)phenyl]triazole-4-carboxamide;hydrochloride
PubChem CID119685721
Molecular FormulaC17H25ClN6O3S
Molecular Weight428.95 g/mol
Exact Mass428.14
IUPAC Name1-piperidin-4-yl-N-[4-(propan-2-ylsulfamoyl)phenyl]triazole-4-carboxamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1.Cl
InChIInChI=1S/C17H24N6O3S.ClH/c1-12(2)21-27(25,26)15-5-3-13(4-6-15)19-17(24)16-11-23(22-20-16)14-7-9-18-10-8-14;/h3-6,11-12,14,18,21H,7-10H2,1-2H3,(H,19,24);1H
InChIKeyKSTGCEHYKLFYAX-UHFFFAOYSA-N
XLogP1.56
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.95
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119703611
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CID 119702447
1-piperidin-4-yl-N-[4-(propylsulfonylamino)phenyl]triazole-4-carboxamide;hydrochloride
CID 119754212
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119672434
N-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119769642
1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride
CID 119828958
N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
N-[3-(dimethylsulfamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672920
1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide
CID 119867835
1-piperidin-4-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)triazole-4-carboxamide;dihydrochloride
CID 119839749

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[4-(propan-2-ylsulfamoyl)phenyl]triazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-piperidin-4-yl-N-[4-(propan-2-ylsulfamoyl)phenyl]triazole-4-carboxamide;hydrochloride (CID 119685721) is 1-piperidin-4-yl-N-[4-(propan-2-ylsulfamoyl)phenyl]triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-N-[4-(propan-2-ylsulfamoyl)phenyl]triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-piperidin-4-yl-N-[4-(propan-2-ylsulfamoyl)phenyl]triazole-4-carboxamide;hydrochloride is CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1.Cl.
What is the InChIKey of 1-piperidin-4-yl-N-[4-(propan-2-ylsulfamoyl)phenyl]triazole-4-carboxamide;hydrochloride?
The InChIKey is KSTGCEHYKLFYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3S.ClH/c1-12(2)21-27(25,26)15-5-3-13(4-6-15)19-17(24)16-11-23(22-20-16)14-7-9-18-10-8-14;/h3-6,11-12,14,18,21H,7-10H2,1-2H3,(H,19,24);1H.
What are the key properties of 1-piperidin-4-yl-N-[4-(propan-2-ylsulfamoyl)phenyl]triazole-4-carboxamide;hydrochloride?
1-piperidin-4-yl-N-[4-(propan-2-ylsulfamoyl)phenyl]triazole-4-carboxamide;hydrochloride has a molecular weight of 428.95 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-[4-(propan-2-ylsulfamoyl)phenyl]triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119685721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).