4-[(3R)-3-benzoylpiperidin-1-yl]-4-oxobutane-1-sulfonamide

C16H22N2O4S — CID 95223490

IUPAC4-[(3R)-3-benzoylpiperidin-1-yl]-4-oxobutane-1-sulfonamide
SMILESNS(=O)(=O)CCCC(=O)N1CCC[C@@H](C(=O)c2ccccc2)C1
InChIInChI=1S/C16H22N2O4S/c17-23(21,22)11-5-9-15(19)18-10-4-8-14(12-18)16(20)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H2,17,21,22)/t14-/m1/s1
InChIKeyOYEYXIGNIABTEU-CQSZACIVSA-N
MW338.43 g/mol
LogP1.18
Rot. Bonds6

About 4-[(3R)-3-benzoylpiperidin-1-yl]-4-oxobutane-1-sulfonamide

4-[(3R)-3-benzoylpiperidin-1-yl]-4-oxobutane-1-sulfonamide (PubChem CID 95223490) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-[(3R)-3-benzoylpiperidin-1-yl]-4-oxobutane-1-sulfonamide.

Molecular Properties

Compound Name4-[(3R)-3-benzoylpiperidin-1-yl]-4-oxobutane-1-sulfonamide
PubChem CID95223490
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name4-[(3R)-3-benzoylpiperidin-1-yl]-4-oxobutane-1-sulfonamide
SMILESNS(=O)(=O)CCCC(=O)N1CCC[C@@H](C(=O)c2ccccc2)C1
InChIInChI=1S/C16H22N2O4S/c17-23(21,22)11-5-9-15(19)18-10-4-8-14(12-18)16(20)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H2,17,21,22)/t14-/m1/s1
InChIKeyOYEYXIGNIABTEU-CQSZACIVSA-N
XLogP1.18
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-benzoylpiperidin-1-yl)-3-methylbutan-1-one
CID 110394462
1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 70747255
1-(3-benzoylpiperidin-1-yl)-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 102602842
3-methylsulfanyl-1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one
CID 42309527
1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 110394484
4-[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide
CID 95532286
1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 25288026
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
4-[3-(naphthalene-2-carbonyl)piperidin-1-yl]-4-oxobutanamide
CID 45220396
1-[(3S)-3-benzoylpiperidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
CID 95225274
1-[3-(4-chlorobenzoyl)piperidin-1-yl]-2-phenylethanone
CID 110289396
1-[3-(4-methylbenzoyl)piperidin-1-yl]-2-phenylethanone
CID 110394612

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-benzoylpiperidin-1-yl]-4-oxobutane-1-sulfonamide?
The IUPAC name of 4-[(3R)-3-benzoylpiperidin-1-yl]-4-oxobutane-1-sulfonamide (CID 95223490) is 4-[(3R)-3-benzoylpiperidin-1-yl]-4-oxobutane-1-sulfonamide.
What is the SMILES notation for 4-[(3R)-3-benzoylpiperidin-1-yl]-4-oxobutane-1-sulfonamide?
The canonical SMILES for 4-[(3R)-3-benzoylpiperidin-1-yl]-4-oxobutane-1-sulfonamide is NS(=O)(=O)CCCC(=O)N1CCC[C@@H](C(=O)c2ccccc2)C1.
What is the InChIKey of 4-[(3R)-3-benzoylpiperidin-1-yl]-4-oxobutane-1-sulfonamide?
The InChIKey is OYEYXIGNIABTEU-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O4S/c17-23(21,22)11-5-9-15(19)18-10-4-8-14(12-18)16(20)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H2,17,21,22)/t14-/m1/s1.
What are the key properties of 4-[(3R)-3-benzoylpiperidin-1-yl]-4-oxobutane-1-sulfonamide?
4-[(3R)-3-benzoylpiperidin-1-yl]-4-oxobutane-1-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-benzoylpiperidin-1-yl]-4-oxobutane-1-sulfonamide is sourced from PubChem (CID 95223490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).