1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone

C21H20F3NO2 — CID 158400377

IUPAC1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1cccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C21H20F3NO2/c1-14(26)16-5-4-6-17(13-16)20(27)25-11-9-15(10-12-25)18-7-2-3-8-19(18)21(22,23)24/h2-8,13,15H,9-12H2,1H3
InChIKeyQATYSPPXGSYNIW-UHFFFAOYSA-N
MW375.39 g/mol
LogP4.93
Rot. Bonds3

About 1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone

1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone (PubChem CID 158400377) has the molecular formula C21H20F3NO2 and a molecular weight of 375.39 g/mol. Its IUPAC name is 1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone
PubChem CID158400377
Molecular FormulaC21H20F3NO2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Name1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone
SMILESCC(=O)c1cccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C21H20F3NO2/c1-14(26)16-5-4-6-17(13-16)20(27)25-11-9-15(10-12-25)18-7-2-3-8-19(18)21(22,23)24/h2-8,13,15H,9-12H2,1H3
InChIKeyQATYSPPXGSYNIW-UHFFFAOYSA-N
XLogP4.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-(2-tert-butylphenyl)piperidine-1-carbonyl]phenyl]ethanone
CID 159352766
2-fluoro-5-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]benzenesulfonamide
CID 146089966
3-[4-(2-methylphenyl)piperidine-1-carbonyl]benzamide
CID 56782455
1-[3-(azetidine-1-carbonyl)phenyl]ethanone
CID 146014974
1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]ethanone
CID 86268340
2,3-dihydro-1H-triazol-2-ium-4-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 163928926
(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157111803
2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 159142820
1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 137456369
(5-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 86268144
(7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157188128
4-(1-benzoylpiperidin-4-yl)-N-(diaminomethylidene)-3-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 66560314

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone?
The IUPAC name of 1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone (CID 158400377) is 1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone is CC(=O)c1cccc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c1.
What is the InChIKey of 1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone?
The InChIKey is QATYSPPXGSYNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO2/c1-14(26)16-5-4-6-17(13-16)20(27)25-11-9-15(10-12-25)18-7-2-3-8-19(18)21(22,23)24/h2-8,13,15H,9-12H2,1H3.
What are the key properties of 1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone?
1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone has a molecular weight of 375.39 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone is sourced from PubChem (CID 158400377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).