2-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]isoindole-1,3-dione

C38H37N3O3 — CID 57118627

About 2-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]isoindole-1,3-dione

2-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]isoindole-1,3-dione (PubChem CID 57118627) has the molecular formula C38H37N3O3 and a molecular weight of 583.73 g/mol. Its IUPAC name is 2-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]isoindole-1,3-dione
• PubChem CID: 57118627
• Molecular Formula: C38H37N3O3
• Molecular Weight: 583.73 g/mol
• Exact Mass: 583.28
• IUPAC Name: 2-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]isoindole-1,3-dione
• SMILES: O=C1c2ccccc2C(=O)N1CCCN1C(=O)C(CCN2CCC(c3ccccc3)CC2)(c2ccccc2)c2ccccc21
• InChI: InChI=1S/C38H37N3O3/c42-35-31-16-7-8-17-32(31)36(43)41(35)24-11-23-40-34-19-10-9-18-33(34)38(37(40)44,30-14-5-2-6-15-30)22-27-39-25-20-29(21-26-39)28-12-3-1-4-13-28/h1-10,12-19,29H,11,20-27H2
• InChIKey: LFSLKYXEHHBDRX-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 60.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.73
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]isoindole-1,3-dione?

The IUPAC name of 2-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]isoindole-1,3-dione (CID 57118627) is 2-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]isoindole-1,3-dione.

What is the SMILES notation for 2-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]isoindole-1,3-dione?

The canonical SMILES for 2-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCN1C(=O)C(CCN2CCC(c3ccccc3)CC2)(c2ccccc2)c2ccccc21.

What is the InChIKey of 2-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]isoindole-1,3-dione?

The InChIKey is LFSLKYXEHHBDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37N3O3/c42-35-31-16-7-8-17-32(31)36(43)41(35)24-11-23-40-34-19-10-9-18-33(34)38(37(40)44,30-14-5-2-6-15-30)22-27-39-25-20-29(21-26-39)28-12-3-1-4-13-28/h1-10,12-19,29H,11,20-27H2.

What are the key properties of 2-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]isoindole-1,3-dione?

2-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]isoindole-1,3-dione has a molecular weight of 583.73 g/mol, XLogP of 6.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 57118627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).