cyclohexyl-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]methanone

C24H36N2O3S — CID 59252345

IUPACcyclohexyl-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]methanone
SMILESCS(=O)(=O)c1ccc(N2CCC(C3CCN(C(=O)C4CCCCC4)CC3)CC2)cc1
InChIInChI=1S/C24H36N2O3S/c1-30(28,29)23-9-7-22(8-10-23)25-15-11-19(12-16-25)20-13-17-26(18-14-20)24(27)21-5-3-2-4-6-21/h7-10,19-21H,2-6,11-18H2,1H3
InChIKeyGVGXJQHXPYLMCE-UHFFFAOYSA-N
MW432.63 g/mol
LogP4.13
Rot. Bonds4

About cyclohexyl-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]methanone

cyclohexyl-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]methanone (PubChem CID 59252345) has the molecular formula C24H36N2O3S and a molecular weight of 432.63 g/mol. Its IUPAC name is cyclohexyl-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]methanone
PubChem CID59252345
Molecular FormulaC24H36N2O3S
Molecular Weight432.63 g/mol
Exact Mass432.24
IUPAC Namecyclohexyl-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]methanone
SMILESCS(=O)(=O)c1ccc(N2CCC(C3CCN(C(=O)C4CCCCC4)CC3)CC2)cc1
InChIInChI=1S/C24H36N2O3S/c1-30(28,29)23-9-7-22(8-10-23)25-15-11-19(12-16-25)20-13-17-26(18-14-20)24(27)21-5-3-2-4-6-21/h7-10,19-21H,2-6,11-18H2,1H3
InChIKeyGVGXJQHXPYLMCE-UHFFFAOYSA-N
XLogP4.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.63
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclohexyl-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]methanone 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-methylsulfonylphenyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 166604975
3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methylsulfonylphenyl)piperidin-4-yl]methanone
CID 171998151
cyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 110803821
cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016
cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110817571
cyclohexyl-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777393
(1-methanimidoylcyclopropyl)-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]methanone
CID 143701377
cyclobutyl-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079073
cyclohexyl-[4-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55853869
cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 113078713
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
CID 1055992
cyclopropyl-[4-(4-methylsulfonylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806526

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]methanone (CID 59252345) is cyclohexyl-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]methanone is CS(=O)(=O)c1ccc(N2CCC(C3CCN(C(=O)C4CCCCC4)CC3)CC2)cc1.
What is the InChIKey of cyclohexyl-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is GVGXJQHXPYLMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O3S/c1-30(28,29)23-9-7-22(8-10-23)25-15-11-19(12-16-25)20-13-17-26(18-14-20)24(27)21-5-3-2-4-6-21/h7-10,19-21H,2-6,11-18H2,1H3.
What are the key properties of cyclohexyl-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]methanone?
cyclohexyl-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 432.63 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[1-(4-methylsulfonylphenyl)piperidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 59252345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).