3-(2-methylphenyl)-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

C24H26F3N3O2 — CID 42631197

IUPAC3-(2-methylphenyl)-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCc1ccccc1C1CC(=O)N(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O
InChIInChI=1S/C24H26F3N3O2/c1-17-5-2-3-8-20(17)21-16-22(31)30(23(21)32)14-11-28-9-12-29(13-10-28)19-7-4-6-18(15-19)24(25,26)27/h2-8,15,21H,9-14,16H2,1H3
InChIKeyGPWBBTISZUBWAP-UHFFFAOYSA-N
MW445.49 g/mol
LogP3.68
Rot. Bonds5

About 3-(2-methylphenyl)-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

3-(2-methylphenyl)-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 42631197) has the molecular formula C24H26F3N3O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-methylphenyl)-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID42631197
Molecular FormulaC24H26F3N3O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC Name3-(2-methylphenyl)-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCc1ccccc1C1CC(=O)N(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O
InChIInChI=1S/C24H26F3N3O2/c1-17-5-2-3-8-20(17)21-16-22(31)30(23(21)32)14-11-28-9-12-29(13-10-28)19-7-4-6-18(15-19)24(25,26)27/h2-8,15,21H,9-14,16H2,1H3
InChIKeyGPWBBTISZUBWAP-UHFFFAOYSA-N
XLogP3.68
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione
CID 42631196
3-(2-methylphenyl)-1-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 42631193
3-(2-fluorophenyl)-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrrolidine-2,5-dione
CID 70684752
2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 8547900
1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-indol-2-one
CID 10157148
1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 42631096
4-methyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-imidazol-2-one
CID 143125296
4-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-4-azatricyclo[5.3.2.02,6]dodecane-3,5-dione
CID 14086524
1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
3-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 15030077
1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565
1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine
CID 3051828

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-methylphenyl)-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 42631197) is 3-(2-methylphenyl)-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-methylphenyl)-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-methylphenyl)-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is Cc1ccccc1C1CC(=O)N(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O.
What is the InChIKey of 3-(2-methylphenyl)-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is GPWBBTISZUBWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O2/c1-17-5-2-3-8-20(17)21-16-22(31)30(23(21)32)14-11-28-9-12-29(13-10-28)19-7-4-6-18(15-19)24(25,26)27/h2-8,15,21H,9-14,16H2,1H3.
What are the key properties of 3-(2-methylphenyl)-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
3-(2-methylphenyl)-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 445.49 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 42631197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).