phenyl-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone

C20H18F3NO2 — CID 24686751

IUPACphenyl-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(C(=O)N2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C20H18F3NO2/c21-20(22,23)17-7-4-12-24(13-17)19(26)16-10-8-15(9-11-16)18(25)14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2
InChIKeyMVZFQXFCTNAYGJ-UHFFFAOYSA-N
MW361.36 g/mol
LogP4.33
Rot. Bonds3

About phenyl-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone

phenyl-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone (PubChem CID 24686751) has the molecular formula C20H18F3NO2 and a molecular weight of 361.36 g/mol. Its IUPAC name is phenyl-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone.

Molecular Properties

Compound Namephenyl-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone
PubChem CID24686751
Molecular FormulaC20H18F3NO2
Molecular Weight361.36 g/mol
Exact Mass361.13
IUPAC Namephenyl-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(C(=O)N2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C20H18F3NO2/c21-20(22,23)17-7-4-12-24(13-17)19(26)16-10-8-15(9-11-16)18(25)14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2
InChIKeyMVZFQXFCTNAYGJ-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone?
The IUPAC name of phenyl-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone (CID 24686751) is phenyl-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone.
What is the SMILES notation for phenyl-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone?
The canonical SMILES for phenyl-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone is O=C(c1ccccc1)c1ccc(C(=O)N2CCCC(C(F)(F)F)C2)cc1.
What is the InChIKey of phenyl-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone?
The InChIKey is MVZFQXFCTNAYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO2/c21-20(22,23)17-7-4-12-24(13-17)19(26)16-10-8-15(9-11-16)18(25)14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2.
What are the key properties of phenyl-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone?
phenyl-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone has a molecular weight of 361.36 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone is sourced from PubChem (CID 24686751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).