1-(4-methylsulfonylpiperidin-1-yl)-2-(4-phenylphenyl)ethanone

C20H23NO3S — CID 90585167

IUPAC1-(4-methylsulfonylpiperidin-1-yl)-2-(4-phenylphenyl)ethanone
SMILESCS(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C20H23NO3S/c1-25(23,24)19-11-13-21(14-12-19)20(22)15-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3
InChIKeyULCLFVMVLGLLFY-UHFFFAOYSA-N
MW357.47 g/mol
LogP2.93
Rot. Bonds4

About 1-(4-methylsulfonylpiperidin-1-yl)-2-(4-phenylphenyl)ethanone

1-(4-methylsulfonylpiperidin-1-yl)-2-(4-phenylphenyl)ethanone (PubChem CID 90585167) has the molecular formula C20H23NO3S and a molecular weight of 357.47 g/mol. Its IUPAC name is 1-(4-methylsulfonylpiperidin-1-yl)-2-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-methylsulfonylpiperidin-1-yl)-2-(4-phenylphenyl)ethanone
PubChem CID90585167
Molecular FormulaC20H23NO3S
Molecular Weight357.47 g/mol
Exact Mass357.14
IUPAC Name1-(4-methylsulfonylpiperidin-1-yl)-2-(4-phenylphenyl)ethanone
SMILESCS(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C20H23NO3S/c1-25(23,24)19-11-13-21(14-12-19)20(22)15-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3
InChIKeyULCLFVMVLGLLFY-UHFFFAOYSA-N
XLogP2.93
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 58143733
1-(4-methylsulfonylpiperidin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 90585164
2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
CID 24720516
1-[(4S)-4-(dimethylamino)azepan-1-yl]-2-(4-phenylphenyl)ethanone
CID 95724805
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 43009927
N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 47029348
4-[1-[2-(4-phenylphenyl)acetyl]piperidin-4-yl]morpholine-3,5-dione
CID 166283809
1-(4-methyl-1,4-diazepan-1-yl)-2-(4-phenylphenyl)ethanone
CID 17167239
3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 25452719
1-[(3S)-3-methylsulfonylpyrrolidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 129373830
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenyl)ethanone
CID 973340
1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 46478705

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylpiperidin-1-yl)-2-(4-phenylphenyl)ethanone?
The IUPAC name of 1-(4-methylsulfonylpiperidin-1-yl)-2-(4-phenylphenyl)ethanone (CID 90585167) is 1-(4-methylsulfonylpiperidin-1-yl)-2-(4-phenylphenyl)ethanone.
What is the SMILES notation for 1-(4-methylsulfonylpiperidin-1-yl)-2-(4-phenylphenyl)ethanone?
The canonical SMILES for 1-(4-methylsulfonylpiperidin-1-yl)-2-(4-phenylphenyl)ethanone is CS(=O)(=O)C1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-(4-methylsulfonylpiperidin-1-yl)-2-(4-phenylphenyl)ethanone?
The InChIKey is ULCLFVMVLGLLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-25(23,24)19-11-13-21(14-12-19)20(22)15-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3.
What are the key properties of 1-(4-methylsulfonylpiperidin-1-yl)-2-(4-phenylphenyl)ethanone?
1-(4-methylsulfonylpiperidin-1-yl)-2-(4-phenylphenyl)ethanone has a molecular weight of 357.47 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylpiperidin-1-yl)-2-(4-phenylphenyl)ethanone is sourced from PubChem (CID 90585167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).