1-(benzenesulfonyl)-N,N-dimethyl-4-phenylpiperidine-4-carboxamide

C20H24N2O3S — CID 2221650

IUPAC1-(benzenesulfonyl)-N,N-dimethyl-4-phenylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O3S/c1-21(2)19(23)20(17-9-5-3-6-10-17)13-15-22(16-14-20)26(24,25)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3
InChIKeyQSQSCHKVSYEVPH-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.50
Rot. Bonds4

About 1-(benzenesulfonyl)-N,N-dimethyl-4-phenylpiperidine-4-carboxamide

1-(benzenesulfonyl)-N,N-dimethyl-4-phenylpiperidine-4-carboxamide (PubChem CID 2221650) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N,N-dimethyl-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N,N-dimethyl-4-phenylpiperidine-4-carboxamide
PubChem CID2221650
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-(benzenesulfonyl)-N,N-dimethyl-4-phenylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H24N2O3S/c1-21(2)19(23)20(17-9-5-3-6-10-17)13-15-22(16-14-20)26(24,25)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3
InChIKeyQSQSCHKVSYEVPH-UHFFFAOYSA-N
XLogP2.50
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Phenylpiperidin-1-yl)carbonylbenzenesulfonamide
CID 135393499
4-(4-Acetyl-4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 155568445
2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 3437887
Cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 3874660
4-Phenyl-1-(phenylsulfonyl)pyrrolidin-2-one
CID 3930754
N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-N-ethyl-acetamide
CID 478418
8a-benzyl-2-(phenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 11417666
8a-benzyl-2-(4-tert-butylphenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 24180659
Cyclohexyl(4-(3,5-dimethylphenylsulfonyl)piperazin-1-yl)methanone
CID 24944970
(4-(Biphenyl-3-ylsulfonyl)piperazin-1-yl)(cyclohexyl)methanone
CID 24944973
1-(4-(3,5-Dichlorophenylsulfonyl)piperazin-1-yl)-2-methyl-2-phenylpropan-1-one
CID 24945559
(R)-8a-benzyl-2-(4-tert-butylphenylsulfonyl)-1,2,3,4,8,8a-hexahydroisoquinolin-6(7H)-one
CID 44442927

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N,N-dimethyl-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N,N-dimethyl-4-phenylpiperidine-4-carboxamide (CID 2221650) is 1-(benzenesulfonyl)-N,N-dimethyl-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N,N-dimethyl-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N,N-dimethyl-4-phenylpiperidine-4-carboxamide is CN(C)C(=O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N,N-dimethyl-4-phenylpiperidine-4-carboxamide?
The InChIKey is QSQSCHKVSYEVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-21(2)19(23)20(17-9-5-3-6-10-17)13-15-22(16-14-20)26(24,25)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-N,N-dimethyl-4-phenylpiperidine-4-carboxamide?
1-(benzenesulfonyl)-N,N-dimethyl-4-phenylpiperidine-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N,N-dimethyl-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 2221650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).