1-[4-[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]piperazin-1-yl]ethanone

C17H20F3N3O2 — CID 84582681

IUPAC1-[4-[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2CN(C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C17H20F3N3O2/c1-12(24)21-6-8-22(9-7-21)15-10-23(11-15)16(25)13-2-4-14(5-3-13)17(18,19)20/h2-5,15H,6-11H2,1H3
InChIKeyUAJOMCLHUMNRHZ-UHFFFAOYSA-N
MW355.36 g/mol
LogP1.69
Rot. Bonds2

About 1-[4-[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]piperazin-1-yl]ethanone

1-[4-[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]piperazin-1-yl]ethanone (PubChem CID 84582681) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 1-[4-[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]piperazin-1-yl]ethanone
PubChem CID84582681
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name1-[4-[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2CN(C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C17H20F3N3O2/c1-12(24)21-6-8-22(9-7-21)15-10-23(11-15)16(25)13-2-4-14(5-3-13)17(18,19)20/h2-5,15H,6-11H2,1H3
InChIKeyUAJOMCLHUMNRHZ-UHFFFAOYSA-N
XLogP1.69
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

(4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 113074934
(3,4-dihydroxypyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 106671798
phenyl-[4-[1-[3-[4-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]piperazin-1-yl]methanone
CID 66839871
(3-piperazin-1-ylpyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120995892
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752
(4-cyclopentylpiperazin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55584059
1-[4-[1-(3-hydroxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84582046
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110107956
[4-(4-bromobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108534348
1-[4-[1-(3-chlorobenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579152
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]piperazin-1-yl]ethanone (CID 84582681) is 1-[4-[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C2CN(C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1.
What is the InChIKey of 1-[4-[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is UAJOMCLHUMNRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-12(24)21-6-8-22(9-7-21)15-10-23(11-15)16(25)13-2-4-14(5-3-13)17(18,19)20/h2-5,15H,6-11H2,1H3.
What are the key properties of 1-[4-[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]piperazin-1-yl]ethanone?
1-[4-[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 355.36 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 84582681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).