4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one

C20H21F3N2O2 — CID 46035768

IUPAC4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
SMILESCOc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)C(=O)C2C)cc1
InChIInChI=1S/C20H21F3N2O2/c1-14-19(26)25(17-5-3-4-16(12-17)20(21,22)23)11-10-24(14)13-15-6-8-18(27-2)9-7-15/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyKKUQLKQCHDWPJJ-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.95
Rot. Bonds4

About 4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one

4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one (PubChem CID 46035768) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
PubChem CID46035768
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
SMILESCOc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)C(=O)C2C)cc1
InChIInChI=1S/C20H21F3N2O2/c1-14-19(26)25(17-5-3-4-16(12-17)20(21,22)23)11-10-24(14)13-15-6-8-18(27-2)9-7-15/h3-9,12,14H,10-11,13H2,1-2H3
InChIKeyKKUQLKQCHDWPJJ-UHFFFAOYSA-N
XLogP3.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-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-[(4-fluorophenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one
CID 46035767
(3S)-1-(3-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 93321115
1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24715881
1-(2,3-dimethylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 24716577
4-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 24716569
(3S)-N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93331629
(3R)-1-(3-methoxyphenyl)-3-methyl-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 93321027
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 56900389
(3R)-1-(2-methoxy-5-methylphenyl)-4-[(4-methoxyphenyl)methyl]-3-methylpiperazin-2-one
CID 93292204
1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 141088850
(3S)-4-[[6-(dimethylamino)-3-pyridinyl]methyl]-1-(4-methoxyphenyl)-3-methylpiperazin-2-one
CID 95729785
(4aS,7aR)-1-[(4-methoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-5,6,7,7a-tetrahydro-4aH-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 11886510

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one (CID 46035768) is 4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one is COc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)C(=O)C2C)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one?
The InChIKey is KKUQLKQCHDWPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-14-19(26)25(17-5-3-4-16(12-17)20(21,22)23)11-10-24(14)13-15-6-8-18(27-2)9-7-15/h3-9,12,14H,10-11,13H2,1-2H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one?
4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one has a molecular weight of 378.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]piperazin-2-one is sourced from PubChem (CID 46035768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).