1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide

C19H22N2O4S — CID 2991035

IUPAC1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C19H22N2O4S/c1-25-17-11-9-16(10-12-17)20-19(22)15-6-5-13-21(14-15)26(23,24)18-7-3-2-4-8-18/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,20,22)
InChIKeyGILCNPWRCBPFBD-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.73
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide

1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 2991035) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
PubChem CID2991035
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)cc1
InChIInChI=1S/C19H22N2O4S/c1-25-17-11-9-16(10-12-17)20-19(22)15-6-5-13-21(14-15)26(23,24)18-7-3-2-4-8-18/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,20,22)
InChIKeyGILCNPWRCBPFBD-UHFFFAOYSA-N
XLogP2.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(4-acetamidophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081635
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613
(3S)-1-(benzenesulfonyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 41129511
(3R)-1-(benzenesulfonyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 41129510
methyl 4-[[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 41301922
(3S)-1-[4-(dimethylsulfamoyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 1456755
(3R)-N-(4-carbamoylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9207182
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 9225422
(3S)-1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 7379045
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 16862471
(3R)-N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 39279777

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide (CID 2991035) is 1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is GILCNPWRCBPFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-25-17-11-9-16(10-12-17)20-19(22)15-6-5-13-21(14-15)26(23,24)18-7-3-2-4-8-18/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,20,22).
What are the key properties of 1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 2991035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).