1-[[1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one

C20H27N3O4S — CID 46966806

IUPAC1-[[1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1
InChIInChI=1S/C20H27N3O4S/c24-19-5-2-11-21(19)14-16-4-1-12-22(15-16)28(26,27)18-9-7-17(8-10-18)23-13-3-6-20(23)25/h7-10,16H,1-6,11-15H2
InChIKeyREKCBKFICOAOSR-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.84
Rot. Bonds5

About 1-[[1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one

1-[[1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one (PubChem CID 46966806) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 1-[[1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one
PubChem CID46966806
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name1-[[1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1
InChIInChI=1S/C20H27N3O4S/c24-19-5-2-11-21(19)14-16-4-1-12-22(15-16)28(26,27)18-9-7-17(8-10-18)23-13-3-6-20(23)25/h7-10,16H,1-6,11-15H2
InChIKeyREKCBKFICOAOSR-UHFFFAOYSA-N
XLogP1.84
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

(3R)-N-cyclohexyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 41062070
(3R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41024996
1-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one
CID 110258937
1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 29105012
1-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 9292872
1-(4-chlorophenyl)sulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 24626125
(3S)-N-cyclohexyl-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 41024792
methyl 1-[4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]phenyl]sulfonylpiperidine-3-carboxylate
CID 45354290
(3S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 41024969
1-[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 17175034
2-[4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 110311400
[1-(4-aminophenyl)sulfonylpiperidin-3-yl]methanol
CID 43590128

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one (CID 46966806) is 1-[[1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one is O=C1CCCN1CC1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1.
What is the InChIKey of 1-[[1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is REKCBKFICOAOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c24-19-5-2-11-21(19)14-16-4-1-12-22(15-16)28(26,27)18-9-7-17(8-10-18)23-13-3-6-20(23)25/h7-10,16H,1-6,11-15H2.
What are the key properties of 1-[[1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one?
1-[[1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 405.52 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 46966806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).