1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-fluoren-9-ylidenepyrrolidine-2,5-dione

C30H28ClN3O2 — CID 10815166

About 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-fluoren-9-ylidenepyrrolidine-2,5-dione

1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-fluoren-9-ylidenepyrrolidine-2,5-dione (PubChem CID 10815166) has the molecular formula C30H28ClN3O2 and a molecular weight of 498.03 g/mol. Its IUPAC name is 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-fluoren-9-ylidenepyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-fluoren-9-ylidenepyrrolidine-2,5-dione
• PubChem CID: 10815166
• Molecular Formula: C30H28ClN3O2
• Molecular Weight: 498.03 g/mol
• Exact Mass: 497.19
• IUPAC Name: 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-fluoren-9-ylidenepyrrolidine-2,5-dione
• SMILES: O=C1CC(=C2c3ccccc3-c3ccccc32)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1
• InChI: InChI=1S/C30H28ClN3O2/c31-21-7-5-8-22(19-21)33-17-15-32(16-18-33)13-6-14-34-28(35)20-27(30(34)36)29-25-11-3-1-9-23(25)24-10-2-4-12-26(24)29/h1-5,7-12,19H,6,13-18,20H2
• InChIKey: KPSUCSFDXUGYRG-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 43.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.03
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-fluoren-9-ylidenepyrrolidine-2,5-dione?

The IUPAC name of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-fluoren-9-ylidenepyrrolidine-2,5-dione (CID 10815166) is 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-fluoren-9-ylidenepyrrolidine-2,5-dione.

What is the SMILES notation for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-fluoren-9-ylidenepyrrolidine-2,5-dione?

The canonical SMILES for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-fluoren-9-ylidenepyrrolidine-2,5-dione is O=C1CC(=C2c3ccccc3-c3ccccc32)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1.

What is the InChIKey of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-fluoren-9-ylidenepyrrolidine-2,5-dione?

The InChIKey is KPSUCSFDXUGYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN3O2/c31-21-7-5-8-22(19-21)33-17-15-32(16-18-33)13-6-14-34-28(35)20-27(30(34)36)29-25-11-3-1-9-23(25)24-10-2-4-12-26(24)29/h1-5,7-12,19H,6,13-18,20H2.

What are the key properties of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-fluoren-9-ylidenepyrrolidine-2,5-dione?

1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-fluoren-9-ylidenepyrrolidine-2,5-dione has a molecular weight of 498.03 g/mol, XLogP of 5.09, 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-chlorophenyl)piperazin-1-yl]propyl]-3-fluoren-9-ylidenepyrrolidine-2,5-dione is sourced from PubChem (CID 10815166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).