4-anilino-1-(benzenesulfonyl)-N,N-dimethylpiperidine-4-carboxamide

C20H25N3O3S — CID 155878899

IUPAC4-anilino-1-(benzenesulfonyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1(Nc2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O3S/c1-22(2)19(24)20(21-17-9-5-3-6-10-17)13-15-23(16-14-20)27(25,26)18-11-7-4-8-12-18/h3-12,21H,13-16H2,1-2H3
InChIKeySCBWNUBXQYYQQV-UHFFFAOYSA-N
MW387.50 g/mol
LogP2.41
Rot. Bonds5

About 4-anilino-1-(benzenesulfonyl)-N,N-dimethylpiperidine-4-carboxamide

4-anilino-1-(benzenesulfonyl)-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 155878899) has the molecular formula C20H25N3O3S and a molecular weight of 387.50 g/mol. Its IUPAC name is 4-anilino-1-(benzenesulfonyl)-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-anilino-1-(benzenesulfonyl)-N,N-dimethylpiperidine-4-carboxamide
PubChem CID155878899
Molecular FormulaC20H25N3O3S
Molecular Weight387.50 g/mol
Exact Mass387.16
IUPAC Name4-anilino-1-(benzenesulfonyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1(Nc2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O3S/c1-22(2)19(24)20(21-17-9-5-3-6-10-17)13-15-23(16-14-20)27(25,26)18-11-7-4-8-12-18/h3-12,21H,13-16H2,1-2H3
InChIKeySCBWNUBXQYYQQV-UHFFFAOYSA-N
XLogP2.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluoroanilino)-N,N-dimethyl-1-methylsulfonylpiperidine-4-carboxamide;formic acid
CID 155870942
1-(benzenesulfonyl)-3,3-dimethylpyrrolidine
CID 13427462
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
4-anilino-N,N-dimethyl-1-(6-methylpyridine-2-carbonyl)piperidine-4-carboxamide
CID 155873229
4-anilino-N,N-dimethyl-1-(2-methylpyrazole-3-carbonyl)piperidine-4-carboxamide
CID 155874172
4-anilino-1-[(2-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155878897
[1-(benzenesulfonyl)-4-[(dimethylamino)methyl]piperidin-4-yl]methanol
CID 137334939
4-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155873379
(3aS,6aS)-1'-(benzenesulfonyl)-2-ethyl-N,N-dimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide
CID 97439449
1-(benzenesulfonyl)-4-methylazepan-4-ol
CID 107407045
1-[8-(benzenesulfonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 97385294
1-acetyl-4-anilinopiperidine-4-carboxylic acid
CID 114239013

Frequently Asked Questions

What is the IUPAC name of 4-anilino-1-(benzenesulfonyl)-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 4-anilino-1-(benzenesulfonyl)-N,N-dimethylpiperidine-4-carboxamide (CID 155878899) is 4-anilino-1-(benzenesulfonyl)-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 4-anilino-1-(benzenesulfonyl)-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 4-anilino-1-(benzenesulfonyl)-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1(Nc2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-anilino-1-(benzenesulfonyl)-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is SCBWNUBXQYYQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-22(2)19(24)20(21-17-9-5-3-6-10-17)13-15-23(16-14-20)27(25,26)18-11-7-4-8-12-18/h3-12,21H,13-16H2,1-2H3.
What are the key properties of 4-anilino-1-(benzenesulfonyl)-N,N-dimethylpiperidine-4-carboxamide?
4-anilino-1-(benzenesulfonyl)-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 387.50 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-1-(benzenesulfonyl)-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 155878899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).