(4-fluorophenyl)-[1-[3-(trifluoromethoxy)benzoyl]piperidin-4-yl]methanone

C20H17F4NO3 — CID 10046202

IUPAC(4-fluorophenyl)-[1-[3-(trifluoromethoxy)benzoyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C20H17F4NO3/c21-16-6-4-13(5-7-16)18(26)14-8-10-25(11-9-14)19(27)15-2-1-3-17(12-15)28-20(22,23)24/h1-7,12,14H,8-11H2
InChIKeyIYMHMWPTSAHJQT-UHFFFAOYSA-N
MW395.35 g/mol
LogP4.46
Rot. Bonds4

About (4-fluorophenyl)-[1-[3-(trifluoromethoxy)benzoyl]piperidin-4-yl]methanone

(4-fluorophenyl)-[1-[3-(trifluoromethoxy)benzoyl]piperidin-4-yl]methanone (PubChem CID 10046202) has the molecular formula C20H17F4NO3 and a molecular weight of 395.35 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[3-(trifluoromethoxy)benzoyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[3-(trifluoromethoxy)benzoyl]piperidin-4-yl]methanone
PubChem CID10046202
Molecular FormulaC20H17F4NO3
Molecular Weight395.35 g/mol
Exact Mass395.11
IUPAC Name(4-fluorophenyl)-[1-[3-(trifluoromethoxy)benzoyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C20H17F4NO3/c21-16-6-4-13(5-7-16)18(26)14-8-10-25(11-9-14)19(27)15-2-1-3-17(12-15)28-20(22,23)24/h1-7,12,14H,8-11H2
InChIKeyIYMHMWPTSAHJQT-UHFFFAOYSA-N
XLogP4.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.35
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-fluorophenyl)-[1-[3-(trifluoromethoxy)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

Related Compounds

[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163
[4-(4-fluorophenyl)sulfanylphenyl]-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone
CID 164615358
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 172646307
[4-(3-fluorobenzoyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 32522141
(3-fluorophenyl)-[4-[2-[3-(trifluoromethoxy)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 59447423
4-hydroxy-1-[3-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid
CID 120528203
(4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63409770
4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide
CID 67169178
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]methanone
CID 30797137
(2R)-1-[3-(trifluoromethoxy)benzoyl]piperidine-2-carboxylic acid
CID 120537427
[(7S)-7-(furan-2-yl)-1,4-thiazepan-4-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 124671082
[3-(4-chlorophenyl)azepan-1-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 121146689

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[3-(trifluoromethoxy)benzoyl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[3-(trifluoromethoxy)benzoyl]piperidin-4-yl]methanone (CID 10046202) is (4-fluorophenyl)-[1-[3-(trifluoromethoxy)benzoyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[3-(trifluoromethoxy)benzoyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[3-(trifluoromethoxy)benzoyl]piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(C(=O)c2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[3-(trifluoromethoxy)benzoyl]piperidin-4-yl]methanone?
The InChIKey is IYMHMWPTSAHJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4NO3/c21-16-6-4-13(5-7-16)18(26)14-8-10-25(11-9-14)19(27)15-2-1-3-17(12-15)28-20(22,23)24/h1-7,12,14H,8-11H2.
What are the key properties of (4-fluorophenyl)-[1-[3-(trifluoromethoxy)benzoyl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[3-(trifluoromethoxy)benzoyl]piperidin-4-yl]methanone has a molecular weight of 395.35 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[3-(trifluoromethoxy)benzoyl]piperidin-4-yl]methanone is sourced from PubChem (CID 10046202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).