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

C18H22F3N3O2 — CID 10133677

IUPAC1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H22F3N3O2/c19-18(20,21)14-3-1-4-15(13-14)23-11-9-22(10-12-23)7-2-8-24-16(25)5-6-17(24)26/h1,3-4,13H,2,5-12H2
InChIKeyGODQZMVRCJUDTL-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.37
Rot. Bonds5

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

1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione (PubChem CID 10133677) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione
PubChem CID10133677
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC Name1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H22F3N3O2/c19-18(20,21)14-3-1-4-15(13-14)23-11-9-22(10-12-23)7-2-8-24-16(25)5-6-17(24)26/h1,3-4,13H,2,5-12H2
InChIKeyGODQZMVRCJUDTL-UHFFFAOYSA-N
XLogP2.37
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrolidine-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 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione (CID 10133677) is 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione?
The InChIKey is GODQZMVRCJUDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c19-18(20,21)14-3-1-4-15(13-14)23-11-9-22(10-12-23)7-2-8-24-16(25)5-6-17(24)26/h1,3-4,13H,2,5-12H2.
What are the key properties of 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione?
1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione has a molecular weight of 369.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 10133677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).