3-(4-methylphenyl)-1-propan-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione

C22H23F3N2O2 — CID 167692957

IUPAC3-(4-methylphenyl)-1-propan-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione
SMILESCc1ccc(C2C(=O)N(C(C)C)CC(=O)N2Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H23F3N2O2/c1-14(2)26-13-19(28)27(12-16-6-10-18(11-7-16)22(23,24)25)20(21(26)29)17-8-4-15(3)5-9-17/h4-11,14,20H,12-13H2,1-3H3
InChIKeyXFMKAZFJPZTJRD-UHFFFAOYSA-N
MW404.43 g/mol
LogP4.33
Rot. Bonds4

About 3-(4-methylphenyl)-1-propan-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione

3-(4-methylphenyl)-1-propan-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione (PubChem CID 167692957) has the molecular formula C22H23F3N2O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-propan-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-propan-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione
PubChem CID167692957
Molecular FormulaC22H23F3N2O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Name3-(4-methylphenyl)-1-propan-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione
SMILESCc1ccc(C2C(=O)N(C(C)C)CC(=O)N2Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H23F3N2O2/c1-14(2)26-13-19(28)27(12-16-6-10-18(11-7-16)22(23,24)25)20(21(26)29)17-8-4-15(3)5-9-17/h4-11,14,20H,12-13H2,1-3H3
InChIKeyXFMKAZFJPZTJRD-UHFFFAOYSA-N
XLogP4.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-methylphenyl)-1-propan-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione 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 3-(4-methylphenyl)-1-propan-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione?
The IUPAC name of 3-(4-methylphenyl)-1-propan-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione (CID 167692957) is 3-(4-methylphenyl)-1-propan-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-(4-methylphenyl)-1-propan-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione?
The canonical SMILES for 3-(4-methylphenyl)-1-propan-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione is Cc1ccc(C2C(=O)N(C(C)C)CC(=O)N2Cc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-propan-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione?
The InChIKey is XFMKAZFJPZTJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O2/c1-14(2)26-13-19(28)27(12-16-6-10-18(11-7-16)22(23,24)25)20(21(26)29)17-8-4-15(3)5-9-17/h4-11,14,20H,12-13H2,1-3H3.
What are the key properties of 3-(4-methylphenyl)-1-propan-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione?
3-(4-methylphenyl)-1-propan-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione has a molecular weight of 404.43 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-propan-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione is sourced from PubChem (CID 167692957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).