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

C13H12F3NO2 — CID 3815225

IUPAC1-[3-(trifluoromethyl)benzoyl]piperidin-4-one
SMILESO=C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H12F3NO2/c14-13(15,16)10-3-1-2-9(8-10)12(19)17-6-4-11(18)5-7-17/h1-3,8H,4-7H2
InChIKeyMKADAVGEWXLVKP-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.51
Rot. Bonds1

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

1-[3-(trifluoromethyl)benzoyl]piperidin-4-one (PubChem CID 3815225) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)benzoyl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)benzoyl]piperidin-4-one
PubChem CID3815225
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC Name1-[3-(trifluoromethyl)benzoyl]piperidin-4-one
SMILESO=C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H12F3NO2/c14-13(15,16)10-3-1-2-9(8-10)12(19)17-6-4-11(18)5-7-17/h1-3,8H,4-7H2
InChIKeyMKADAVGEWXLVKP-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

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Related Compounds

1-[2-oxo-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 47043284
(4-aminophenyl)-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119720545
(4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 21025548
[4-(aminomethyl)-4-fluoropiperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 68838032
(4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 9048304
1-(3-methylsulfonylbenzoyl)piperidin-4-one
CID 22397490
(4-hydroxy-4-methylazepan-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 107406050
[4-(1-chloroethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 106839086
[4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 63595842
[3-(4-oxopiperidine-1-carbonyl)phenyl]boronic acid
CID 44886949
(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 146045833
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)benzoyl]piperidin-4-one?
The IUPAC name of 1-[3-(trifluoromethyl)benzoyl]piperidin-4-one (CID 3815225) is 1-[3-(trifluoromethyl)benzoyl]piperidin-4-one.
What is the SMILES notation for 1-[3-(trifluoromethyl)benzoyl]piperidin-4-one?
The canonical SMILES for 1-[3-(trifluoromethyl)benzoyl]piperidin-4-one is O=C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[3-(trifluoromethyl)benzoyl]piperidin-4-one?
The InChIKey is MKADAVGEWXLVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2/c14-13(15,16)10-3-1-2-9(8-10)12(19)17-6-4-11(18)5-7-17/h1-3,8H,4-7H2.
What are the key properties of 1-[3-(trifluoromethyl)benzoyl]piperidin-4-one?
1-[3-(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-[3-(trifluoromethyl)benzoyl]piperidin-4-one is sourced from PubChem (CID 3815225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).