1-propan-2-yl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one

C15H17F3N2O2 — CID 110709011

IUPAC1-propan-2-yl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one
SMILESCC(C)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1=O
InChIInChI=1S/C15H17F3N2O2/c1-10(2)20-8-7-19(9-13(20)21)14(22)11-3-5-12(6-4-11)15(16,17)18/h3-6,10H,7-9H2,1-2H3
InChIKeyMMUXBTLCTRMHBI-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.40
Rot. Bonds2

About 1-propan-2-yl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one

1-propan-2-yl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one (PubChem CID 110709011) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 1-propan-2-yl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one
PubChem CID110709011
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name1-propan-2-yl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one
SMILESCC(C)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1=O
InChIInChI=1S/C15H17F3N2O2/c1-10(2)20-8-7-19(9-13(20)21)14(22)11-3-5-12(6-4-11)15(16,17)18/h3-6,10H,7-9H2,1-2H3
InChIKeyMMUXBTLCTRMHBI-UHFFFAOYSA-N
XLogP2.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butylbenzoyl)-1-propan-2-ylpiperazin-2-one
CID 110708986
4-(4-methylbenzoyl)-1-propan-2-ylpiperazin-2-one
CID 110708969
4-(4-methoxybenzoyl)-1-propan-2-ylpiperazin-2-one
CID 110708980
1-tert-butyl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one
CID 110873671
4-(3-fluorobenzoyl)-1-propan-2-ylpiperazin-2-one
CID 110708971
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752
[4-(4-bromobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108534348
1-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24945761
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 2422199
(2S)-2-amino-4-methyl-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pentan-1-one
CID 119729298
4-(furan-2-carbonyl)-1-propan-2-ylpiperazin-2-one
CID 110708964
1-tert-butyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535476

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one?
The IUPAC name of 1-propan-2-yl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one (CID 110709011) is 1-propan-2-yl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one.
What is the SMILES notation for 1-propan-2-yl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one?
The canonical SMILES for 1-propan-2-yl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one is CC(C)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1=O.
What is the InChIKey of 1-propan-2-yl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one?
The InChIKey is MMUXBTLCTRMHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-10(2)20-8-7-19(9-13(20)21)14(22)11-3-5-12(6-4-11)15(16,17)18/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one?
1-propan-2-yl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one has a molecular weight of 314.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one is sourced from PubChem (CID 110709011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).