3-ethyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one

C15H16F3NO2 — CID 114508244

IUPAC3-ethyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
SMILESCCC1CN(C(=O)c2ccccc2C(F)(F)F)CCC1=O
InChIInChI=1S/C15H16F3NO2/c1-2-10-9-19(8-7-13(10)20)14(21)11-5-3-4-6-12(11)15(16,17)18/h3-6,10H,2,7-9H2,1H3
InChIKeyUJZOZWZTSSKYAB-UHFFFAOYSA-N
MW299.29 g/mol
LogP3.15
Rot. Bonds2

About 3-ethyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one

3-ethyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one (PubChem CID 114508244) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is 3-ethyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
PubChem CID114508244
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name3-ethyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
SMILESCCC1CN(C(=O)c2ccccc2C(F)(F)F)CCC1=O
InChIInChI=1S/C15H16F3NO2/c1-2-10-9-19(8-7-13(10)20)14(21)11-5-3-4-6-12(11)15(16,17)18/h3-6,10H,2,7-9H2,1H3
InChIKeyUJZOZWZTSSKYAB-UHFFFAOYSA-N
XLogP3.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 114499783
1-benzoyl-3-ethylpiperidin-4-one
CID 114508143
1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 24701821
4-propyl-1-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one
CID 42419626
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 172646296
[(3R)-3-aminopyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119410283
6-(3-ethyl-4-oxopiperidine-1-carbonyl)-1H-pyridin-2-one
CID 114040137
1-[2-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63006620
methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate
CID 97355286
(4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 80707552
(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 138384123
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one?
The IUPAC name of 3-ethyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one (CID 114508244) is 3-ethyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one.
What is the SMILES notation for 3-ethyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one?
The canonical SMILES for 3-ethyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one is CCC1CN(C(=O)c2ccccc2C(F)(F)F)CCC1=O.
What is the InChIKey of 3-ethyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one?
The InChIKey is UJZOZWZTSSKYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO2/c1-2-10-9-19(8-7-13(10)20)14(21)11-5-3-4-6-12(11)15(16,17)18/h3-6,10H,2,7-9H2,1H3.
What are the key properties of 3-ethyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one?
3-ethyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one has a molecular weight of 299.29 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one is sourced from PubChem (CID 114508244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).