1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]piperidin-2-one

C24H35NO4S — CID 58145747

IUPAC1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]piperidin-2-one
SMILESCC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(N3CCCCC3=O)cc2)CC1
InChIInChI=1S/C24H35NO4S/c1-24(2,3)30(28,29)17-19-7-11-20(12-8-19)22(26)16-18-9-13-21(14-10-18)25-15-5-4-6-23(25)27/h9-10,13-14,19-20H,4-8,11-12,15-17H2,1-3H3
InChIKeySKPWFNYJMOSYLP-UHFFFAOYSA-N
MW433.61 g/mol
LogP4.33
Rot. Bonds6

About 1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]piperidin-2-one

1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]piperidin-2-one (PubChem CID 58145747) has the molecular formula C24H35NO4S and a molecular weight of 433.61 g/mol. Its IUPAC name is 1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]piperidin-2-one
PubChem CID58145747
Molecular FormulaC24H35NO4S
Molecular Weight433.61 g/mol
Exact Mass433.23
IUPAC Name1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]piperidin-2-one
SMILESCC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(N3CCCCC3=O)cc2)CC1
InChIInChI=1S/C24H35NO4S/c1-24(2,3)30(28,29)17-19-7-11-20(12-8-19)22(26)16-18-9-13-21(14-10-18)25-15-5-4-6-23(25)27/h9-10,13-14,19-20H,4-8,11-12,15-17H2,1-3H3
InChIKeySKPWFNYJMOSYLP-UHFFFAOYSA-N
XLogP4.33
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.61
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]piperidin-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

1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]piperidin-4-one
CID 58144066
2-(4-tert-butylphenyl)-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone
CID 58145202
2-(3-aminophenyl)-1-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethanone
CID 58145405
1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(4-cyclopentyloxyphenyl)ethanone
CID 58144218
N-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]-N-methylacetamide
CID 58144500
1-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]-2-(4-pyrrolidin-1-ylphenyl)ethanone
CID 58144336
1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-(3-cyclohexyloxyphenyl)ethanone
CID 58144955
1-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorophenyl]ethanone
CID 58145791
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
N-[(3-hydroxycyclohexyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 111460220
methyl 1-[4-[[2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetyl]amino]phenyl]sulfonylpiperidine-3-carboxylate
CID 45354290
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9303488

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]piperidin-2-one?
The IUPAC name of 1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]piperidin-2-one (CID 58145747) is 1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]piperidin-2-one.
What is the SMILES notation for 1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]piperidin-2-one?
The canonical SMILES for 1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]piperidin-2-one is CC(C)(C)S(=O)(=O)CC1CCC(C(=O)Cc2ccc(N3CCCCC3=O)cc2)CC1.
What is the InChIKey of 1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]piperidin-2-one?
The InChIKey is SKPWFNYJMOSYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO4S/c1-24(2,3)30(28,29)17-19-7-11-20(12-8-19)22(26)16-18-9-13-21(14-10-18)25-15-5-4-6-23(25)27/h9-10,13-14,19-20H,4-8,11-12,15-17H2,1-3H3.
What are the key properties of 1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]piperidin-2-one?
1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]piperidin-2-one has a molecular weight of 433.61 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]-2-oxoethyl]phenyl]piperidin-2-one is sourced from PubChem (CID 58145747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).