1-(1-benzylsulfonylpiperidin-4-yl)pyrrolidin-2-one

C16H22N2O3S — CID 71782911

IUPAC1-(1-benzylsulfonylpiperidin-4-yl)pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H22N2O3S/c19-16-7-4-10-18(16)15-8-11-17(12-9-15)22(20,21)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2
InChIKeyNIEXXQSNBQQNPE-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.60
Rot. Bonds4

About 1-(1-benzylsulfonylpiperidin-4-yl)pyrrolidin-2-one

1-(1-benzylsulfonylpiperidin-4-yl)pyrrolidin-2-one (PubChem CID 71782911) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-(1-benzylsulfonylpiperidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-benzylsulfonylpiperidin-4-yl)pyrrolidin-2-one
PubChem CID71782911
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name1-(1-benzylsulfonylpiperidin-4-yl)pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H22N2O3S/c19-16-7-4-10-18(16)15-8-11-17(12-9-15)22(20,21)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2
InChIKeyNIEXXQSNBQQNPE-UHFFFAOYSA-N
XLogP1.60
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Benzylpiperidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 1082618
1-(Benzylsulfonyl)-3-(1-piperidinylcarbonyl)piperidine
CID 3242176
4-Benzyl-1-{[1-(propylsulfonyl)piperidin-4-yl]carbonyl}piperidine
CID 3245774
N-(1,1-dioxothiolan-3-yl)-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 5243057
3-(Benzylsulfonyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 6488979
1-(ethylsulfonyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 3239183
(3aS,6aR)-4-ethyl-1-[(4-methylphenyl)methylsulfonyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 97458637
N,N-diethyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 963794
1-(4-Benzylsulfonylpiperazin-1-yl)-3-cyclopentylpropan-1-one
CID 1096354
[1-(4-Methylphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 2932557
4,N-Dimethyl-N-(4-oxo-4-piperidin-1-yl-butyl)-benzenesulfonamide
CID 3129560
N-(2-phenylethyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 3245166

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylsulfonylpiperidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 1-(1-benzylsulfonylpiperidin-4-yl)pyrrolidin-2-one (CID 71782911) is 1-(1-benzylsulfonylpiperidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-benzylsulfonylpiperidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-benzylsulfonylpiperidin-4-yl)pyrrolidin-2-one is O=C1CCCN1C1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylsulfonylpiperidin-4-yl)pyrrolidin-2-one?
The InChIKey is NIEXXQSNBQQNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c19-16-7-4-10-18(16)15-8-11-17(12-9-15)22(20,21)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2.
What are the key properties of 1-(1-benzylsulfonylpiperidin-4-yl)pyrrolidin-2-one?
1-(1-benzylsulfonylpiperidin-4-yl)pyrrolidin-2-one has a molecular weight of 322.43 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylsulfonylpiperidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 71782911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).