N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide

C15H22N2O3S — CID 61073647

IUPACN-[1-(benzenesulfonyl)piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H22N2O3S/c1-2-6-15(18)16-13-9-11-17(12-10-13)21(19,20)14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3,(H,16,18)
InChIKeyYVIUXBUYBFHZGN-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.76
Rot. Bonds5

About N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide

N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide (PubChem CID 61073647) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)piperidin-4-yl]butanamide
PubChem CID61073647
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[1-(benzenesulfonyl)piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H22N2O3S/c1-2-6-15(18)16-13-9-11-17(12-10-13)21(19,20)14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3,(H,16,18)
InChIKeyYVIUXBUYBFHZGN-UHFFFAOYSA-N
XLogP1.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide
CID 108561671
1-(benzenesulfonyl)-N-[2-(butanoylamino)phenyl]piperidine-4-carboxamide
CID 6498124
N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 51294911
tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate
CID 46318295
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
N-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-4-oxopentanamide
CID 108562846
N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 74238551
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 24611994
N-[1-(benzenesulfonyl)piperidin-4-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 74233149
N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560006
N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 108561858
4-(methylamino)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
CID 119699481

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide?
The IUPAC name of N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide (CID 61073647) is N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide?
The canonical SMILES for N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide is CCCC(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide?
The InChIKey is YVIUXBUYBFHZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-6-15(18)16-13-9-11-17(12-10-13)21(19,20)14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3,(H,16,18).
What are the key properties of N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide?
N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide has a molecular weight of 310.42 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 61073647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).