(4-fluorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone

C20H20FNO2 — CID 1438157

IUPAC(4-fluorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20FNO2/c1-14-4-2-3-5-18(14)20(24)22-12-10-16(11-13-22)19(23)15-6-8-17(21)9-7-15/h2-9,16H,10-13H2,1H3
InChIKeyWDODKHGJMPJXSR-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.87
Rot. Bonds3

About (4-fluorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone

(4-fluorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone (PubChem CID 1438157) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone
PubChem CID1438157
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name(4-fluorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20FNO2/c1-14-4-2-3-5-18(14)20(24)22-12-10-16(11-13-22)19(23)15-6-8-17(21)9-7-15/h2-9,16H,10-13H2,1H3
InChIKeyWDODKHGJMPJXSR-UHFFFAOYSA-N
XLogP3.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-fluorophenyl)-[1-(2-methylbenzoyl)piperidin-4-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

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone (CID 1438157) is (4-fluorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone is Cc1ccccc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone?
The InChIKey is WDODKHGJMPJXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-14-4-2-3-5-18(14)20(24)22-12-10-16(11-13-22)19(23)15-6-8-17(21)9-7-15/h2-9,16H,10-13H2,1H3.
What are the key properties of (4-fluorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone has a molecular weight of 325.38 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(2-methylbenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 1438157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).