N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide

C17H21ClN6O2 — CID 119718961

IUPACN-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCN(C)C(=O)c1cc(NC(=O)c2cn(C3CCNCC3)nn2)ccc1Cl
InChIInChI=1S/C17H21ClN6O2/c1-23(2)17(26)13-9-11(3-4-14(13)18)20-16(25)15-10-24(22-21-15)12-5-7-19-8-6-12/h3-4,9-10,12,19H,5-8H2,1-2H3,(H,20,25)
InChIKeyYIQRBXPAUUAMNV-UHFFFAOYSA-N
MW376.85 g/mol
LogP1.81
Rot. Bonds4

About N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119718961) has the molecular formula C17H21ClN6O2 and a molecular weight of 376.85 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119718961
Molecular FormulaC17H21ClN6O2
Molecular Weight376.85 g/mol
Exact Mass376.14
IUPAC NameN-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCN(C)C(=O)c1cc(NC(=O)c2cn(C3CCNCC3)nn2)ccc1Cl
InChIInChI=1S/C17H21ClN6O2/c1-23(2)17(26)13-9-11(3-4-14(13)18)20-16(25)15-10-24(22-21-15)12-5-7-19-8-6-12/h3-4,9-10,12,19H,5-8H2,1-2H3,(H,20,25)
InChIKeyYIQRBXPAUUAMNV-UHFFFAOYSA-N
XLogP1.81
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
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-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119770027
N-[3-(dimethylsulfamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672920
N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119702697
N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673884
N-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119685390
methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119679642
N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119702447
1-(azetidin-3-yl)-N-(4-chloro-3-fluorophenyl)triazole-4-carboxamide
CID 79316764
N-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119769642

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119718961) is N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide is CN(C)C(=O)c1cc(NC(=O)c2cn(C3CCNCC3)nn2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is YIQRBXPAUUAMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN6O2/c1-23(2)17(26)13-9-11(3-4-14(13)18)20-16(25)15-10-24(22-21-15)12-5-7-19-8-6-12/h3-4,9-10,12,19H,5-8H2,1-2H3,(H,20,25).
What are the key properties of N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 376.85 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119718961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).