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

C22H22F3N3O2 — CID 2832588

IUPAC1-(3-methylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)c1
InChIInChI=1S/C22H22F3N3O2/c1-15-4-2-7-18(12-15)28-20(29)14-19(21(28)30)27-10-8-26(9-11-27)17-6-3-5-16(13-17)22(23,24)25/h2-7,12-13,19H,8-11,14H2,1H3
InChIKeyIMZFILKRCAUDQM-UHFFFAOYSA-N
MW417.43 g/mol
LogP3.47
Rot. Bonds3

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

1-(3-methylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2832588) has the molecular formula C22H22F3N3O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID2832588
Molecular FormulaC22H22F3N3O2
Molecular Weight417.43 g/mol
Exact Mass417.17
IUPAC Name1-(3-methylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)c1
InChIInChI=1S/C22H22F3N3O2/c1-15-4-2-7-18(12-15)28-20(29)14-19(21(28)30)27-10-8-26(9-11-27)17-6-3-5-16(13-17)22(23,24)25/h2-7,12-13,19H,8-11,14H2,1H3
InChIKeyIMZFILKRCAUDQM-UHFFFAOYSA-N
XLogP3.47
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-methylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione (CID 2832588) is 1-(3-methylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-methylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-methylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione is Cc1cccc(N2C(=O)CC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2=O)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is IMZFILKRCAUDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O2/c1-15-4-2-7-18(12-15)28-20(29)14-19(21(28)30)27-10-8-26(9-11-27)17-6-3-5-16(13-17)22(23,24)25/h2-7,12-13,19H,8-11,14H2,1H3.
What are the key properties of 1-(3-methylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione?
1-(3-methylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 417.43 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2832588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).