N-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C17H22Cl2N6O2 — CID 119760851

IUPACN-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(=O)Nc1cc(Cl)ccc1NC(=O)c1nnn(C2CCNCC2)c1C.Cl
InChIInChI=1S/C17H21ClN6O2.ClH/c1-10-16(22-23-24(10)13-5-7-19-8-6-13)17(26)21-14-4-3-12(18)9-15(14)20-11(2)25;/h3-4,9,13,19H,5-8H2,1-2H3,(H,20,25)(H,21,26);1H
InChIKeyLOFIOUKFQLHGDE-UHFFFAOYSA-N
MW413.31 g/mol
LogP2.80
Rot. Bonds4

About N-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119760851) has the molecular formula C17H22Cl2N6O2 and a molecular weight of 413.31 g/mol. Its IUPAC name is N-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119760851
Molecular FormulaC17H22Cl2N6O2
Molecular Weight413.31 g/mol
Exact Mass412.12
IUPAC NameN-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(=O)Nc1cc(Cl)ccc1NC(=O)c1nnn(C2CCNCC2)c1C.Cl
InChIInChI=1S/C17H21ClN6O2.ClH/c1-10-16(22-23-24(10)13-5-7-19-8-6-13)17(26)21-14-4-3-12(18)9-15(14)20-11(2)25;/h3-4,9,13,19H,5-8H2,1-2H3,(H,20,25)(H,21,26);1H
InChIKeyLOFIOUKFQLHGDE-UHFFFAOYSA-N
XLogP2.80
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.31
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-chloro-2-(cyclopropylamino)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119856720
N-(4-chloro-2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119808220
5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide
CID 119708593
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119679218
N-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705929
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
N-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119728769
N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696872
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119810301
N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673298
N-(3-fluoro-4-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119674362

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119760851) is N-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CC(=O)Nc1cc(Cl)ccc1NC(=O)c1nnn(C2CCNCC2)c1C.Cl.
What is the InChIKey of N-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is LOFIOUKFQLHGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN6O2.ClH/c1-10-16(22-23-24(10)13-5-7-19-8-6-13)17(26)21-14-4-3-12(18)9-15(14)20-11(2)25;/h3-4,9,13,19H,5-8H2,1-2H3,(H,20,25)(H,21,26);1H.
What are the key properties of N-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 413.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119760851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).