(4-fluorophenyl)-(1-methylsulfonylpiperidin-4-yl)methanone

C13H16FNO3S — CID 1438143

IUPAC(4-fluorophenyl)-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H16FNO3S/c1-19(17,18)15-8-6-11(7-9-15)13(16)10-2-4-12(14)5-3-10/h2-5,11H,6-9H2,1H3
InChIKeyJPHBCDRZBAGZGZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.68
Rot. Bonds3

About (4-fluorophenyl)-(1-methylsulfonylpiperidin-4-yl)methanone

(4-fluorophenyl)-(1-methylsulfonylpiperidin-4-yl)methanone (PubChem CID 1438143) has the molecular formula C13H16FNO3S and a molecular weight of 285.34 g/mol. Its IUPAC name is (4-fluorophenyl)-(1-methylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(1-methylsulfonylpiperidin-4-yl)methanone
PubChem CID1438143
Molecular FormulaC13H16FNO3S
Molecular Weight285.34 g/mol
Exact Mass285.08
IUPAC Name(4-fluorophenyl)-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H16FNO3S/c1-19(17,18)15-8-6-11(7-9-15)13(16)10-2-4-12(14)5-3-10/h2-5,11H,6-9H2,1H3
InChIKeyJPHBCDRZBAGZGZ-UHFFFAOYSA-N
XLogP1.68
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(1-methylsulfonylpiperidin-4-yl)methanone (CID 1438143) is (4-fluorophenyl)-(1-methylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(1-methylsulfonylpiperidin-4-yl)methanone is CS(=O)(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-(1-methylsulfonylpiperidin-4-yl)methanone?
The InChIKey is JPHBCDRZBAGZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3S/c1-19(17,18)15-8-6-11(7-9-15)13(16)10-2-4-12(14)5-3-10/h2-5,11H,6-9H2,1H3.
What are the key properties of (4-fluorophenyl)-(1-methylsulfonylpiperidin-4-yl)methanone?
(4-fluorophenyl)-(1-methylsulfonylpiperidin-4-yl)methanone has a molecular weight of 285.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(1-methylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 1438143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).