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

C13H12F3NO2 — CID 24701821

IUPAC1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C13H12F3NO2/c14-13(15,16)11-4-2-1-3-10(11)12(19)17-7-5-9(18)6-8-17/h1-4H,5-8H2
InChIKeyJNBSDAHJYHYNFG-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.51
Rot. Bonds1

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

1-[2-(trifluoromethyl)benzoyl]piperidin-4-one (PubChem CID 24701821) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)benzoyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
PubChem CID24701821
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC Name1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C13H12F3NO2/c14-13(15,16)11-4-2-1-3-10(11)12(19)17-7-5-9(18)6-8-17/h1-4H,5-8H2
InChIKeyJNBSDAHJYHYNFG-UHFFFAOYSA-N
XLogP2.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(trifluoromethyl)benzoyl]piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 32753291
3-methyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 114499783
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 55558490
1-(2-hydroxybenzoyl)piperidin-4-one
CID 24689914
4-propyl-1-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one
CID 42419626
(4-hydroxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 80707552
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 108545273
(4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 86276608
3-ethyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 114508244
1-(2-chlorobenzoyl)piperidin-4-one
CID 24693065
2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;hydrochloride
CID 66953178

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)benzoyl]piperidin-4-one?
The IUPAC name of 1-[2-(trifluoromethyl)benzoyl]piperidin-4-one (CID 24701821) is 1-[2-(trifluoromethyl)benzoyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(trifluoromethyl)benzoyl]piperidin-4-one?
The canonical SMILES for 1-[2-(trifluoromethyl)benzoyl]piperidin-4-one is O=C1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-[2-(trifluoromethyl)benzoyl]piperidin-4-one?
The InChIKey is JNBSDAHJYHYNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2/c14-13(15,16)11-4-2-1-3-10(11)12(19)17-7-5-9(18)6-8-17/h1-4H,5-8H2.
What are the key properties of 1-[2-(trifluoromethyl)benzoyl]piperidin-4-one?
1-[2-(trifluoromethyl)benzoyl]piperidin-4-one has a molecular weight of 271.24 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)benzoyl]piperidin-4-one is sourced from PubChem (CID 24701821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).