3-[6-oxo-1'-[(2-oxo-1,3-dihydroindol-7-yl)methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione

C28H28N4O5 — CID 169201380

About 3-[6-oxo-1'-[(2-oxo-1,3-dihydroindol-7-yl)methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione

3-[6-oxo-1'-[(2-oxo-1,3-dihydroindol-7-yl)methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione (PubChem CID 169201380) has the molecular formula C28H28N4O5 and a molecular weight of 500.56 g/mol. Its IUPAC name is 3-[6-oxo-1'-[(2-oxo-1,3-dihydroindol-7-yl)methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-oxo-1'-[(2-oxo-1,3-dihydroindol-7-yl)methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
• PubChem CID: 169201380
• Molecular Formula: C28H28N4O5
• Molecular Weight: 500.56 g/mol
• Exact Mass: 500.21
• IUPAC Name: 3-[6-oxo-1'-[(2-oxo-1,3-dihydroindol-7-yl)methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3c(ccc4c3OCC43CCN(Cc4cccc5c4NC(=O)C5)CC3)C2=O)C(=O)N1
• InChI: InChI=1S/C28H28N4O5/c33-22-7-6-21(26(35)30-22)32-14-19-18(27(32)36)4-5-20-25(19)37-15-28(20)8-10-31(11-9-28)13-17-3-1-2-16-12-23(34)29-24(16)17/h1-5,21H,6-15H2,(H,29,34)(H,30,33,35)
• InChIKey: KKIKVQCUMQDPIC-UHFFFAOYSA-N
• XLogP: 1.87
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.56
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-oxo-1'-[(2-oxo-1,3-dihydroindol-7-yl)methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-oxo-1'-[(2-oxo-1,3-dihydroindol-7-yl)methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione (CID 169201380) is 3-[6-oxo-1'-[(2-oxo-1,3-dihydroindol-7-yl)methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-oxo-1'-[(2-oxo-1,3-dihydroindol-7-yl)methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-oxo-1'-[(2-oxo-1,3-dihydroindol-7-yl)methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(ccc4c3OCC43CCN(Cc4cccc5c4NC(=O)C5)CC3)C2=O)C(=O)N1.

What is the InChIKey of 3-[6-oxo-1'-[(2-oxo-1,3-dihydroindol-7-yl)methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?

The InChIKey is KKIKVQCUMQDPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O5/c33-22-7-6-21(26(35)30-22)32-14-19-18(27(32)36)4-5-20-25(19)37-15-28(20)8-10-31(11-9-28)13-17-3-1-2-16-12-23(34)29-24(16)17/h1-5,21H,6-15H2,(H,29,34)(H,30,33,35).

What are the key properties of 3-[6-oxo-1'-[(2-oxo-1,3-dihydroindol-7-yl)methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?

3-[6-oxo-1'-[(2-oxo-1,3-dihydroindol-7-yl)methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione has a molecular weight of 500.56 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-oxo-1'-[(2-oxo-1,3-dihydroindol-7-yl)methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione is sourced from PubChem (CID 169201380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).