(4-fluorophenyl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone

C20H17F4NO2 — CID 46906318

IUPAC(4-fluorophenyl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H17F4NO2/c21-17-7-3-13(4-8-17)18(26)14-9-11-25(12-10-14)19(27)15-1-5-16(6-2-15)20(22,23)24/h1-8,14H,9-12H2
InChIKeyOJRBYISQZIBETE-UHFFFAOYSA-N
MW379.35 g/mol
LogP4.58
Rot. Bonds3

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

(4-fluorophenyl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone (PubChem CID 46906318) has the molecular formula C20H17F4NO2 and a molecular weight of 379.35 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
PubChem CID46906318
Molecular FormulaC20H17F4NO2
Molecular Weight379.35 g/mol
Exact Mass379.12
IUPAC Name(4-fluorophenyl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H17F4NO2/c21-17-7-3-13(4-8-17)18(26)14-9-11-25(12-10-14)19(27)15-1-5-16(6-2-15)20(22,23)24/h1-8,14H,9-12H2
InChIKeyOJRBYISQZIBETE-UHFFFAOYSA-N
XLogP4.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-fluorophenyl)-[1-[4-(trifluoromethyl)benzoyl]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-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone (CID 46906318) is (4-fluorophenyl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
The InChIKey is OJRBYISQZIBETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4NO2/c21-17-7-3-13(4-8-17)18(26)14-9-11-25(12-10-14)19(27)15-1-5-16(6-2-15)20(22,23)24/h1-8,14H,9-12H2.
What are the key properties of (4-fluorophenyl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone has a molecular weight of 379.35 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone is sourced from PubChem (CID 46906318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).