1-[2-(benzenesulfonyl)acetyl]piperidine-4-carboxamide

C14H18N2O4S — CID 17312294

IUPAC1-[2-(benzenesulfonyl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C14H18N2O4S/c15-14(18)11-6-8-16(9-7-11)13(17)10-21(19,20)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H2,15,18)
InChIKeyVRHHIWLZZDSXOZ-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.18
Rot. Bonds4

About 1-[2-(benzenesulfonyl)acetyl]piperidine-4-carboxamide

1-[2-(benzenesulfonyl)acetyl]piperidine-4-carboxamide (PubChem CID 17312294) has the molecular formula C14H18N2O4S and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-[2-(benzenesulfonyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(benzenesulfonyl)acetyl]piperidine-4-carboxamide
PubChem CID17312294
Molecular FormulaC14H18N2O4S
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC Name1-[2-(benzenesulfonyl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C14H18N2O4S/c15-14(18)11-6-8-16(9-7-11)13(17)10-21(19,20)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H2,15,18)
InChIKeyVRHHIWLZZDSXOZ-UHFFFAOYSA-N
XLogP0.18
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(benzenesulfonyl)ethyl]piperidine-4-carboxamide
CID 2821924
4-[2-(benzenesulfonyl)acetyl]piperazine-2-carboxamide
CID 163141018
2-(benzenesulfonyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 58395167
1-[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]piperidine-4-carboxamide
CID 45374478
1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 110696934
1-[3-(benzenesulfonyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 63005902
1-[(E)-5-phenylpent-4-enoyl]piperidine-4-carboxamide
CID 119137406
1-[2-[N-(benzenesulfonyl)-4-nitroanilino]acetyl]piperidine-4-carboxamide
CID 2930245
1-[4-(N-methylsulfonylanilino)butanoyl]piperidine-4-carboxamide
CID 6500036
2-(4-chlorophenyl)sulfonyl-1-(4-methylpiperidin-1-yl)ethanone
CID 78761127
1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 5033864
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate
CID 7980424

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzenesulfonyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(benzenesulfonyl)acetyl]piperidine-4-carboxamide (CID 17312294) is 1-[2-(benzenesulfonyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(benzenesulfonyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(benzenesulfonyl)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[2-(benzenesulfonyl)acetyl]piperidine-4-carboxamide?
The InChIKey is VRHHIWLZZDSXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c15-14(18)11-6-8-16(9-7-11)13(17)10-21(19,20)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H2,15,18).
What are the key properties of 1-[2-(benzenesulfonyl)acetyl]piperidine-4-carboxamide?
1-[2-(benzenesulfonyl)acetyl]piperidine-4-carboxamide has a molecular weight of 310.37 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzenesulfonyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 17312294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).