phenyl-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone

C20H18F3NO2 — CID 2740734

IUPACphenyl-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H18F3NO2/c21-20(22,23)17-8-4-7-16(13-17)19(26)24-11-9-15(10-12-24)18(25)14-5-2-1-3-6-14/h1-8,13,15H,9-12H2
InChIKeySOUYTVMFAYJNRR-UHFFFAOYSA-N
MW361.36 g/mol
LogP4.44
Rot. Bonds3

About phenyl-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone

phenyl-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone (PubChem CID 2740734) has the molecular formula C20H18F3NO2 and a molecular weight of 361.36 g/mol. Its IUPAC name is phenyl-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Namephenyl-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
PubChem CID2740734
Molecular FormulaC20H18F3NO2
Molecular Weight361.36 g/mol
Exact Mass361.13
IUPAC Namephenyl-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H18F3NO2/c21-20(22,23)17-8-4-7-16(13-17)19(26)24-11-9-15(10-12-24)18(25)14-5-2-1-3-6-14/h1-8,13,15H,9-12H2
InChIKeySOUYTVMFAYJNRR-UHFFFAOYSA-N
XLogP4.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze phenyl-[1-[3-(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 phenyl-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
The IUPAC name of phenyl-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone (CID 2740734) is phenyl-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone.
What is the SMILES notation for phenyl-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
The canonical SMILES for phenyl-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone is O=C(c1ccccc1)C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of phenyl-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
The InChIKey is SOUYTVMFAYJNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO2/c21-20(22,23)17-8-4-7-16(13-17)19(26)24-11-9-15(10-12-24)18(25)14-5-2-1-3-6-14/h1-8,13,15H,9-12H2.
What are the key properties of phenyl-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
phenyl-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone has a molecular weight of 361.36 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone is sourced from PubChem (CID 2740734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).