(4-fluorophenyl)-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]methanone

C20H20FNO4S — CID 46906253

IUPAC(4-fluorophenyl)-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]methanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H20FNO4S/c1-27(25,26)18-8-4-16(5-9-18)20(24)22-12-10-15(11-13-22)19(23)14-2-6-17(21)7-3-14/h2-9,15H,10-13H2,1H3
InChIKeyKBJRDHJVDDPLHP-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.96
Rot. Bonds4

About (4-fluorophenyl)-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]methanone

(4-fluorophenyl)-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]methanone (PubChem CID 46906253) has the molecular formula C20H20FNO4S and a molecular weight of 389.45 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]methanone
PubChem CID46906253
Molecular FormulaC20H20FNO4S
Molecular Weight389.45 g/mol
Exact Mass389.11
IUPAC Name(4-fluorophenyl)-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]methanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H20FNO4S/c1-27(25,26)18-8-4-16(5-9-18)20(24)22-12-10-15(11-13-22)19(23)14-2-6-17(21)7-3-14/h2-9,15H,10-13H2,1H3
InChIKeyKBJRDHJVDDPLHP-UHFFFAOYSA-N
XLogP2.96
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]methanone (CID 46906253) is (4-fluorophenyl)-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]methanone is CS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of (4-fluorophenyl)-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]methanone?
The InChIKey is KBJRDHJVDDPLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4S/c1-27(25,26)18-8-4-16(5-9-18)20(24)22-12-10-15(11-13-22)19(23)14-2-6-17(21)7-3-14/h2-9,15H,10-13H2,1H3.
What are the key properties of (4-fluorophenyl)-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]methanone has a molecular weight of 389.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 46906253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).