5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one

C15H21NO3S — CID 70756405

IUPAC5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one
SMILESCC1(c2ccccc2)CCC(=O)N(CCS(C)(=O)=O)C1
InChIInChI=1S/C15H21NO3S/c1-15(13-6-4-3-5-7-13)9-8-14(17)16(12-15)10-11-20(2,18)19/h3-7H,8-12H2,1-2H3
InChIKeyHRDDKUZGBPFLLS-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.61
Rot. Bonds4

About 5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one

5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one (PubChem CID 70756405) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one.

Molecular Properties

Compound Name5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one
PubChem CID70756405
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one
SMILESCC1(c2ccccc2)CCC(=O)N(CCS(C)(=O)=O)C1
InChIInChI=1S/C15H21NO3S/c1-15(13-6-4-3-5-7-13)9-8-14(17)16(12-15)10-11-20(2,18)19/h3-7H,8-12H2,1-2H3
InChIKeyHRDDKUZGBPFLLS-UHFFFAOYSA-N
XLogP1.61
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 97125748
5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one
CID 70788411
(5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one
CID 97146233
5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one
CID 70730500
(3S)-3-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperidine
CID 96540288
5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one
CID 72913001
5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one
CID 70732107
(5S)-5-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-phenylpiperidin-2-one
CID 97128931
(3S)-3-methyl-1-(3-methylsulfonylpropyl)-3-phenylpiperidine
CID 96540298
(5S)-5-methyl-1-[(1-morpholin-4-ylcyclopentyl)methyl]-5-phenylpiperidin-2-one
CID 97127089
1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one
CID 70706844
(5S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-5-phenylpiperidin-2-one
CID 97151583

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one?
The IUPAC name of 5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one (CID 70756405) is 5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one.
What is the SMILES notation for 5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one?
The canonical SMILES for 5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one is CC1(c2ccccc2)CCC(=O)N(CCS(C)(=O)=O)C1.
What is the InChIKey of 5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one?
The InChIKey is HRDDKUZGBPFLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-15(13-6-4-3-5-7-13)9-8-14(17)16(12-15)10-11-20(2,18)19/h3-7H,8-12H2,1-2H3.
What are the key properties of 5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one?
5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one has a molecular weight of 295.40 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one is sourced from PubChem (CID 70756405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).