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

C14H14F3NO2 — CID 114499783

IUPAC3-methyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
SMILESCC1CN(C(=O)c2ccccc2C(F)(F)F)CCC1=O
InChIInChI=1S/C14H14F3NO2/c1-9-8-18(7-6-12(9)19)13(20)10-4-2-3-5-11(10)14(15,16)17/h2-5,9H,6-8H2,1H3
InChIKeyKENUEXLDTKSYFR-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.76
Rot. Bonds1

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

3-methyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one (PubChem CID 114499783) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is 3-methyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
PubChem CID114499783
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name3-methyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
SMILESCC1CN(C(=O)c2ccccc2C(F)(F)F)CCC1=O
InChIInChI=1S/C14H14F3NO2/c1-9-8-18(7-6-12(9)19)13(20)10-4-2-3-5-11(10)14(15,16)17/h2-5,9H,6-8H2,1H3
InChIKeyKENUEXLDTKSYFR-UHFFFAOYSA-N
XLogP2.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 114508244
1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 24701821
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 172646296
1-[2-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63006620
[(3R)-3-aminopyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119410283
(4-methylazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 84581077
(2-tert-butylphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 114500883
(3R)-1-(1-hydroxynaphthalene-2-carbonyl)-3-methylpiperidin-4-one
CID 129395818
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
(3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 51518671
(2S)-4-[2-(trifluoromethyl)benzoyl]piperazine-2-carboxylic acid
CID 95545201
1-(2,5-dimethylbenzoyl)-3-methylpiperidin-4-one
CID 114499914

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one?
The IUPAC name of 3-methyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one (CID 114499783) is 3-methyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one.
What is the SMILES notation for 3-methyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one?
The canonical SMILES for 3-methyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one is CC1CN(C(=O)c2ccccc2C(F)(F)F)CCC1=O.
What is the InChIKey of 3-methyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one?
The InChIKey is KENUEXLDTKSYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-9-8-18(7-6-12(9)19)13(20)10-4-2-3-5-11(10)14(15,16)17/h2-5,9H,6-8H2,1H3.
What are the key properties of 3-methyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one?
3-methyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one has a molecular weight of 285.26 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one is sourced from PubChem (CID 114499783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).