1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione

C28H32N4O3 — CID 5293528

IUPAC1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C28H32N4O3/c33-26-9-5-15-31(26)24-12-10-23(11-13-24)21-32-27(34)20-25(28(32)35)30-18-16-29(17-19-30)14-4-8-22-6-2-1-3-7-22/h1-4,6-8,10-13,25H,5,9,14-21H2/b8-4+
InChIKeyLOPVVBTUCIBIDJ-XBXARRHUSA-N
MW472.59 g/mol
LogP2.77
Rot. Bonds7

About 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione

1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 5293528) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID5293528
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C28H32N4O3/c33-26-9-5-15-31(26)24-12-10-23(11-13-24)21-32-27(34)20-25(28(32)35)30-18-16-29(17-19-30)14-4-8-22-6-2-1-3-7-22/h1-4,6-8,10-13,25H,5,9,14-21H2/b8-4+
InChIKeyLOPVVBTUCIBIDJ-XBXARRHUSA-N
XLogP2.77
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]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-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione (CID 5293528) is 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione is O=C1CC(N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is LOPVVBTUCIBIDJ-XBXARRHUSA-N. The full InChI is InChI=1S/C28H32N4O3/c33-26-9-5-15-31(26)24-12-10-23(11-13-24)21-32-27(34)20-25(28(32)35)30-18-16-29(17-19-30)14-4-8-22-6-2-1-3-7-22/h1-4,6-8,10-13,25H,5,9,14-21H2/b8-4+.
What are the key properties of 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione?
1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 472.59 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 5293528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).