1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one

C17H24N2O4S — CID 110295630

IUPAC1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
SMILESCOc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C17H24N2O4S/c1-13-7-10-18(11-8-13)24(21,22)16-12-14(5-6-15(16)23-2)19-9-3-4-17(19)20/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyBFCCGRKEVXXATG-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.24
Rot. Bonds4

About 1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one

1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one (PubChem CID 110295630) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
PubChem CID110295630
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
SMILESCOc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C17H24N2O4S/c1-13-7-10-18(11-8-13)24(21,22)16-12-14(5-6-15(16)23-2)19-9-3-4-17(19)20/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyBFCCGRKEVXXATG-UHFFFAOYSA-N
XLogP2.24
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
CID 21005420
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-4-methylpiperidine
CID 6463939
2-methoxy-N-[(4-methoxyphenyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295654
2-methoxy-N-(3-methoxyphenyl)-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295704
2-methoxy-5-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110617246
N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295662
1-(3-fluoro-4-methoxyphenyl)piperidin-2-one
CID 142754617
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110310146
1-(5-tert-butyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 935087
methyl 1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-4-carboxylate
CID 43908989
1-[5-(1-ethyltetrazol-5-yl)-2-methoxyphenyl]sulfonyl-4-methylpiperidine
CID 23938829
1-(3-methoxy-4-propan-2-ylphenyl)pyrrolidin-2-one
CID 146634256

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one (CID 110295630) is 1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one is COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of 1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The InChIKey is BFCCGRKEVXXATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-13-7-10-18(11-8-13)24(21,22)16-12-14(5-6-15(16)23-2)19-9-3-4-17(19)20/h5-6,12-13H,3-4,7-11H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one has a molecular weight of 352.46 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one is sourced from PubChem (CID 110295630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).