6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one

C21H23F3N2O4 — CID 69084057

IUPAC6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one
SMILESCOc1cccc(OC)c1C1CN(C)CC(=O)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H23F3N2O4/c1-25-12-16(20-17(28-2)5-4-6-18(20)29-3)26(19(27)13-25)11-14-7-9-15(10-8-14)30-21(22,23)24/h4-10,16H,11-13H2,1-3H3
InChIKeyALGWFSZKLHWWKG-UHFFFAOYSA-N
MW424.42 g/mol
LogP3.62
Rot. Bonds6

About 6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one

6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one (PubChem CID 69084057) has the molecular formula C21H23F3N2O4 and a molecular weight of 424.42 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one
PubChem CID69084057
Molecular FormulaC21H23F3N2O4
Molecular Weight424.42 g/mol
Exact Mass424.16
IUPAC Name6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one
SMILESCOc1cccc(OC)c1C1CN(C)CC(=O)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H23F3N2O4/c1-25-12-16(20-17(28-2)5-4-6-18(20)29-3)26(19(27)13-25)11-14-7-9-15(10-8-14)30-21(22,23)24/h4-10,16H,11-13H2,1-3H3
InChIKeyALGWFSZKLHWWKG-UHFFFAOYSA-N
XLogP3.62
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]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

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one (CID 69084057) is 6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one is COc1cccc(OC)c1C1CN(C)CC(=O)N1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one?
The InChIKey is ALGWFSZKLHWWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O4/c1-25-12-16(20-17(28-2)5-4-6-18(20)29-3)26(19(27)13-25)11-14-7-9-15(10-8-14)30-21(22,23)24/h4-10,16H,11-13H2,1-3H3.
What are the key properties of 6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one?
6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one has a molecular weight of 424.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxyphenyl)-4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one is sourced from PubChem (CID 69084057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).