1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide

C20H21ClN2O4S — CID 25162245

IUPAC1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C20H21ClN2O4S/c1-28(26,27)18-10-8-17(9-11-18)22-19(24)15-3-2-12-23(13-15)20(25)14-4-6-16(21)7-5-14/h4-11,15H,2-3,12-13H2,1H3,(H,22,24)
InChIKeyDHMZQVADSDTNTK-UHFFFAOYSA-N
MW420.92 g/mol
LogP3.23
Rot. Bonds4

About 1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide (PubChem CID 25162245) has the molecular formula C20H21ClN2O4S and a molecular weight of 420.92 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
PubChem CID25162245
Molecular FormulaC20H21ClN2O4S
Molecular Weight420.92 g/mol
Exact Mass420.09
IUPAC Name1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C20H21ClN2O4S/c1-28(26,27)18-10-8-17(9-11-18)22-19(24)15-3-2-12-23(13-15)20(25)14-4-6-16(21)7-5-14/h4-11,15H,2-3,12-13H2,1H3,(H,22,24)
InChIKeyDHMZQVADSDTNTK-UHFFFAOYSA-N
XLogP3.23
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 50804302
1-(4-chlorobenzoyl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 4876797
1-(4-chlorobenzoyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-3-carboxamide
CID 4202434
N-(4-chlorophenyl)-1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
CID 71681722
N-(6-amino-3-pyridinyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119515373
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
(3S)-1-(4-chlorobenzoyl)-N-[4-(thiomorpholin-4-ylmethyl)phenyl]piperidine-3-carboxamide
CID 95154867
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100673660
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673047
1-[4-[(4-chlorophenyl)sulfamoyl]benzoyl]piperidine-3-carboxamide
CID 18159134
N-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862472

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide (CID 25162245) is 1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide is CS(=O)(=O)c1ccc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide?
The InChIKey is DHMZQVADSDTNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4S/c1-28(26,27)18-10-8-17(9-11-18)22-19(24)15-3-2-12-23(13-15)20(25)14-4-6-16(21)7-5-14/h4-11,15H,2-3,12-13H2,1H3,(H,22,24).
What are the key properties of 1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide has a molecular weight of 420.92 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-(4-methylsulfonylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 25162245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).