3-(4-methylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione

C17H23N3O2 — CID 3842538

IUPAC3-(4-methylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESCN1CCN(C2CC(=O)N(CCc3ccccc3)C2=O)CC1
InChIInChI=1S/C17H23N3O2/c1-18-9-11-19(12-10-18)15-13-16(21)20(17(15)22)8-7-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3
InChIKeyNWOMSTPRGGWEKV-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.60
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione

3-(4-methylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 3842538) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
PubChem CID3842538
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-(4-methylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESCN1CCN(C2CC(=O)N(CCc3ccccc3)C2=O)CC1
InChIInChI=1S/C17H23N3O2/c1-18-9-11-19(12-10-18)15-13-16(21)20(17(15)22)8-7-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3
InChIKeyNWOMSTPRGGWEKV-UHFFFAOYSA-N
XLogP0.60
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-methylpiperazin-1-yl)-1-(2-phenylethyl)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 3-(4-methylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione (CID 3842538) is 3-(4-methylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione is CN1CCN(C2CC(=O)N(CCc3ccccc3)C2=O)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is NWOMSTPRGGWEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-18-9-11-19(12-10-18)15-13-16(21)20(17(15)22)8-7-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione?
3-(4-methylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 301.39 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3842538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).