1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide

C20H24N2O3S — CID 28633931

IUPAC1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-21(19-10-6-3-7-11-19)20(23)18-12-14-22(15-13-18)26(24,25)16-17-8-4-2-5-9-17/h2-11,18H,12-16H2,1H3
InChIKeyDMJXEFQODCGCCQ-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.89
Rot. Bonds5

About 1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide

1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide (PubChem CID 28633931) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide
PubChem CID28633931
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-21(19-10-6-3-7-11-19)20(23)18-12-14-22(15-13-18)26(24,25)16-17-8-4-2-5-9-17/h2-11,18H,12-16H2,1H3
InChIKeyDMJXEFQODCGCCQ-UHFFFAOYSA-N
XLogP2.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylsulfonyl-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 39716601
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
1-benzylsulfonyl-N-ethyl-N-(2-ethylbutyl)piperidine-4-carboxamide
CID 55689168
1-benzylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpiperidine-4-carboxamide
CID 38906012
N-methyl-1-(2-methylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 113006264
N,N-dimethyl-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46265543
N-methyl-1-(2-methylsulfanylphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 16935033
1-ethylsulfonyl-N-methyl-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 51211462
1-benzylsulfonyl-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 55690567
1-benzylsulfonyl-N-[(1R,2R)-2-hydroxycyclohexyl]-N-propylpiperidine-4-carboxamide
CID 95875536
1-benzylsulfonyl-N-ethyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 55690537
2-(1-benzylsulfonylpiperidin-4-yl)acetic acid
CID 78980334

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide (CID 28633931) is 1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide is CN(C(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide?
The InChIKey is DMJXEFQODCGCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-21(19-10-6-3-7-11-19)20(23)18-12-14-22(15-13-18)26(24,25)16-17-8-4-2-5-9-17/h2-11,18H,12-16H2,1H3.
What are the key properties of 1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide?
1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-N-methyl-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 28633931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).