1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide

C20H25N3O3S — CID 4962927

IUPAC1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide
SMILESCN(C)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3O3S/c1-22(2)18-8-6-7-17(15-18)21-20(24)16-11-13-23(14-12-16)27(25,26)19-9-4-3-5-10-19/h3-10,15-16H,11-14H2,1-2H3,(H,21,24)
InChIKeyWNJHVXDHYOKHPR-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.79
Rot. Bonds5

About 1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide (PubChem CID 4962927) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide
PubChem CID4962927
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide
SMILESCN(C)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3O3S/c1-22(2)18-8-6-7-17(15-18)21-20(24)16-11-13-23(14-12-16)27(25,26)19-9-4-3-5-10-19/h3-10,15-16H,11-14H2,1-2H3,(H,21,24)
InChIKeyWNJHVXDHYOKHPR-UHFFFAOYSA-N
XLogP2.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-[3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 39131296
1-(benzenesulfonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43073815
1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 1326765
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 24687063
1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 1072838
1-(benzenesulfonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine-4-carboxamide
CID 42125952
1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 1078408
1-(benzenesulfonyl)-N-(3,4-diethoxyphenyl)piperidine-4-carboxamide
CID 71904171
1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 41263290
N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46652612
1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 31297742
N-(3-acetylphenyl)-1-(4-bromophenyl)sulfonylpiperidine-4-carboxamide
CID 1327585

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide (CID 4962927) is 1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide is CN(C)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide?
The InChIKey is WNJHVXDHYOKHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-22(2)18-8-6-7-17(15-18)21-20(24)16-11-13-23(14-12-16)27(25,26)19-9-4-3-5-10-19/h3-10,15-16H,11-14H2,1-2H3,(H,21,24).
What are the key properties of 1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 4962927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).