[4-(methylsulfonylmethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone

C20H23NO3S — CID 39580416

IUPAC[4-(methylsulfonylmethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
SMILESCS(=O)(=O)Cc1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23NO3S/c1-25(23,24)15-16-7-9-19(10-8-16)20(22)21-13-11-18(12-14-21)17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3
InChIKeyGQNXOIARLPVUNY-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.25
Rot. Bonds4

About [4-(methylsulfonylmethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone

[4-(methylsulfonylmethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 39580416) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is [4-(methylsulfonylmethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(methylsulfonylmethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID39580416
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name[4-(methylsulfonylmethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
SMILESCS(=O)(=O)Cc1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H23NO3S/c1-25(23,24)15-16-7-9-19(10-8-16)20(22)21-13-11-18(12-14-21)17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3
InChIKeyGQNXOIARLPVUNY-UHFFFAOYSA-N
XLogP3.25
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-benzylpyrrolidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 136527673
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 31187279
(4-benzylpiperazin-4-ium-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 8713455
(3,4-dihydroxypyrrolidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 106671289
N-phenyl-4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 24660136
(3-ethylphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 90124178
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 86832859
[4-(methylsulfonylmethyl)phenyl]-(4-propylpiperazin-1-yl)methanone
CID 112790428
[1-[3-(methylsulfonylmethyl)benzoyl]piperidin-4-yl]-phenylmethanone
CID 41309553
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531
N,N-dimethyl-4-[4-(methylsulfonylmethyl)benzoyl]piperazine-1-sulfonamide
CID 32501840

Frequently Asked Questions

What is the IUPAC name of [4-(methylsulfonylmethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [4-(methylsulfonylmethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone (CID 39580416) is [4-(methylsulfonylmethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(methylsulfonylmethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(methylsulfonylmethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone is CS(=O)(=O)Cc1ccc(C(=O)N2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of [4-(methylsulfonylmethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is GQNXOIARLPVUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-25(23,24)15-16-7-9-19(10-8-16)20(22)21-13-11-18(12-14-21)17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3.
What are the key properties of [4-(methylsulfonylmethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone?
[4-(methylsulfonylmethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 357.48 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylsulfonylmethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 39580416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).