1-[[1-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfonylpiperidin-4-yl]methyl]pyrrolidin-2-one

C25H31N3O4S — CID 159219434

IUPAC1-[[1-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfonylpiperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C(CCc1cccnc1)Cc1ccc(S(=O)(=O)N2CCC(CN3CCCC3=O)CC2)cc1
InChIInChI=1S/C25H31N3O4S/c29-23(8-5-21-3-1-13-26-18-21)17-20-6-9-24(10-7-20)33(31,32)28-15-11-22(12-16-28)19-27-14-2-4-25(27)30/h1,3,6-7,9-10,13,18,22H,2,4-5,8,11-12,14-17,19H2
InChIKeyKRMNHBCOBGCCSB-UHFFFAOYSA-N
MW469.61 g/mol
LogP2.85
Rot. Bonds9

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

1-[[1-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfonylpiperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 159219434) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is 1-[[1-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfonylpiperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfonylpiperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID159219434
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC Name1-[[1-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfonylpiperidin-4-yl]methyl]pyrrolidin-2-one
SMILESO=C(CCc1cccnc1)Cc1ccc(S(=O)(=O)N2CCC(CN3CCCC3=O)CC2)cc1
InChIInChI=1S/C25H31N3O4S/c29-23(8-5-21-3-1-13-26-18-21)17-20-6-9-24(10-7-20)33(31,32)28-15-11-22(12-16-28)19-27-14-2-4-25(27)30/h1,3,6-7,9-10,13,18,22H,2,4-5,8,11-12,14-17,19H2
InChIKeyKRMNHBCOBGCCSB-UHFFFAOYSA-N
XLogP2.85
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[4-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]sulfonylphenyl]-4-pyridin-3-ylbutan-2-one
CID 158456391
1-[4-[4-(2-chlorophenyl)piperazin-1-yl]sulfonylphenyl]-4-pyridin-3-ylbutan-2-one
CID 161404684
4-[4-(pyridin-3-ylmethyl)piperidin-1-yl]sulfonylbenzoic acid
CID 166213016
1-(2-pyridin-3-ylethyl)pyrrolidin-2-one
CID 59074969
4-(2-oxo-4-pyridin-3-ylbutyl)-N-(2-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 158464067
1-[4-(benzenesulfonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 27510115
N-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]methanesulfonamide
CID 158830011
3-(4-piperidin-1-ylsulfonylphenyl)-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one
CID 39689571
1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 31398646
N-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylpropanamide
CID 18425754
N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55982334
1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-(2-pyridin-3-ylethyl)urea
CID 55590542

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfonylpiperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfonylpiperidin-4-yl]methyl]pyrrolidin-2-one (CID 159219434) is 1-[[1-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfonylpiperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfonylpiperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfonylpiperidin-4-yl]methyl]pyrrolidin-2-one is O=C(CCc1cccnc1)Cc1ccc(S(=O)(=O)N2CCC(CN3CCCC3=O)CC2)cc1.
What is the InChIKey of 1-[[1-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfonylpiperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is KRMNHBCOBGCCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c29-23(8-5-21-3-1-13-26-18-21)17-20-6-9-24(10-7-20)33(31,32)28-15-11-22(12-16-28)19-27-14-2-4-25(27)30/h1,3,6-7,9-10,13,18,22H,2,4-5,8,11-12,14-17,19H2.
What are the key properties of 1-[[1-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfonylpiperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfonylpiperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 469.61 g/mol, XLogP of 2.85, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[4-(2-oxo-4-pyridin-3-ylbutyl)phenyl]sulfonylpiperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 159219434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).