1-methyl-4-[4-(4-phenylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one

C22H26N2O3S — CID 162658170

IUPAC1-methyl-4-[4-(4-phenylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
SMILESCN1CC(c2ccc(S(=O)(=O)N3CCC(c4ccccc4)CC3)cc2)CC1=O
InChIInChI=1S/C22H26N2O3S/c1-23-16-20(15-22(23)25)18-7-9-21(10-8-18)28(26,27)24-13-11-19(12-14-24)17-5-3-2-4-6-17/h2-10,19-20H,11-16H2,1H3
InChIKeyOSLINTFVBYONLR-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.20
Rot. Bonds4

About 1-methyl-4-[4-(4-phenylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one

1-methyl-4-[4-(4-phenylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one (PubChem CID 162658170) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 1-methyl-4-[4-(4-phenylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-(4-phenylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
PubChem CID162658170
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name1-methyl-4-[4-(4-phenylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
SMILESCN1CC(c2ccc(S(=O)(=O)N3CCC(c4ccccc4)CC3)cc2)CC1=O
InChIInChI=1S/C22H26N2O3S/c1-23-16-20(15-22(23)25)18-7-9-21(10-8-18)28(26,27)24-13-11-19(12-14-24)17-5-3-2-4-6-17/h2-10,19-20H,11-16H2,1H3
InChIKeyOSLINTFVBYONLR-UHFFFAOYSA-N
XLogP3.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(4-phenylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-4-[4-(4-phenylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one (CID 162658170) is 1-methyl-4-[4-(4-phenylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-[4-(4-phenylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-[4-(4-phenylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one is CN1CC(c2ccc(S(=O)(=O)N3CCC(c4ccccc4)CC3)cc2)CC1=O.
What is the InChIKey of 1-methyl-4-[4-(4-phenylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The InChIKey is OSLINTFVBYONLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-23-16-20(15-22(23)25)18-7-9-21(10-8-18)28(26,27)24-13-11-19(12-14-24)17-5-3-2-4-6-17/h2-10,19-20H,11-16H2,1H3.
What are the key properties of 1-methyl-4-[4-(4-phenylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one?
1-methyl-4-[4-(4-phenylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one has a molecular weight of 398.53 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(4-phenylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one is sourced from PubChem (CID 162658170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).