4-(4-chlorophenyl)-N-methyl-5-phenyl-N-piperidin-1-yltriazole-2-carboxamide

C21H22ClN5O — CID 24955585

IUPAC4-(4-chlorophenyl)-N-methyl-5-phenyl-N-piperidin-1-yltriazole-2-carboxamide
SMILESCN(C(=O)n1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1)N1CCCCC1
InChIInChI=1S/C21H22ClN5O/c1-25(26-14-6-3-7-15-26)21(28)27-23-19(16-8-4-2-5-9-16)20(24-27)17-10-12-18(22)13-11-17/h2,4-5,8-13H,3,6-7,14-15H2,1H3
InChIKeyUKZCAWKKSKWGNV-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.57
Rot. Bonds3

About 4-(4-chlorophenyl)-N-methyl-5-phenyl-N-piperidin-1-yltriazole-2-carboxamide

4-(4-chlorophenyl)-N-methyl-5-phenyl-N-piperidin-1-yltriazole-2-carboxamide (PubChem CID 24955585) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-methyl-5-phenyl-N-piperidin-1-yltriazole-2-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-methyl-5-phenyl-N-piperidin-1-yltriazole-2-carboxamide
PubChem CID24955585
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC Name4-(4-chlorophenyl)-N-methyl-5-phenyl-N-piperidin-1-yltriazole-2-carboxamide
SMILESCN(C(=O)n1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1)N1CCCCC1
InChIInChI=1S/C21H22ClN5O/c1-25(26-14-6-3-7-15-26)21(28)27-23-19(16-8-4-2-5-9-16)20(24-27)17-10-12-18(22)13-11-17/h2,4-5,8-13H,3,6-7,14-15H2,1H3
InChIKeyUKZCAWKKSKWGNV-UHFFFAOYSA-N
XLogP4.57
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-phenyltriazole-2-carboxamide
CID 24955583
1-[3-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]propyl]piperidine
CID 24985582
4-(4-chlorophenyl)-5-phenyl-2-(3-pyrrolidin-1-ylpropyl)triazole
CID 24985235
2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide
CID 69293752
(Z)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-piperidin-1-ylprop-2-en-1-one
CID 2299076
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-fluoro-N-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 70255079
azepan-1-yl-[1-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 50745653
1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 4988708
5-chloro-3-phenyl-1-(1-piperidin-1-ylethyl)indazole;hydrochloride
CID 21494216
[4-(dimethylamino)-6-phenylpyrimidin-5-yl]-piperidin-1-ylmethanone
CID 90724941
[4,5-bis(4-chlorophenyl)-1-methylimidazol-2-yl]-piperidin-1-ylmethanone
CID 10273200
N-methyl-N-phenylpiperidine-1-carboxamide
CID 54133936

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-methyl-5-phenyl-N-piperidin-1-yltriazole-2-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-methyl-5-phenyl-N-piperidin-1-yltriazole-2-carboxamide (CID 24955585) is 4-(4-chlorophenyl)-N-methyl-5-phenyl-N-piperidin-1-yltriazole-2-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-methyl-5-phenyl-N-piperidin-1-yltriazole-2-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-methyl-5-phenyl-N-piperidin-1-yltriazole-2-carboxamide is CN(C(=O)n1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1)N1CCCCC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-methyl-5-phenyl-N-piperidin-1-yltriazole-2-carboxamide?
The InChIKey is UKZCAWKKSKWGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c1-25(26-14-6-3-7-15-26)21(28)27-23-19(16-8-4-2-5-9-16)20(24-27)17-10-12-18(22)13-11-17/h2,4-5,8-13H,3,6-7,14-15H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-N-methyl-5-phenyl-N-piperidin-1-yltriazole-2-carboxamide?
4-(4-chlorophenyl)-N-methyl-5-phenyl-N-piperidin-1-yltriazole-2-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-methyl-5-phenyl-N-piperidin-1-yltriazole-2-carboxamide is sourced from PubChem (CID 24955585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).