4-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]-N,N-dimethylbenzamide

C29H32N4O5 — CID 169201456

About 4-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]-N,N-dimethylbenzamide

4-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]-N,N-dimethylbenzamide (PubChem CID 169201456) has the molecular formula C29H32N4O5 and a molecular weight of 516.60 g/mol. Its IUPAC name is 4-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 4-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]-N,N-dimethylbenzamide
• PubChem CID: 169201456
• Molecular Formula: C29H32N4O5
• Molecular Weight: 516.60 g/mol
• Exact Mass: 516.24
• IUPAC Name: 4-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]-N,N-dimethylbenzamide
• SMILES: CN(C)C(=O)c1ccc(CN2CCC3(CC2)COc2c3ccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1
• InChI: InChI=1S/C29H32N4O5/c1-31(2)27(36)19-5-3-18(4-6-19)15-32-13-11-29(12-14-32)17-38-25-21-16-33(23-9-10-24(34)30-26(23)35)28(37)20(21)7-8-22(25)29/h3-8,23H,9-17H2,1-2H3,(H,30,34,35)
• InChIKey: CXVGNHDAOTUTNJ-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 99.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.60
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	1
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 4-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]-N,N-dimethylbenzamide?

The IUPAC name of 4-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]-N,N-dimethylbenzamide (CID 169201456) is 4-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]-N,N-dimethylbenzamide.

What is the SMILES notation for 4-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]-N,N-dimethylbenzamide?

The canonical SMILES for 4-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(CN2CCC3(CC2)COc2c3ccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1.

What is the InChIKey of 4-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]-N,N-dimethylbenzamide?

The InChIKey is CXVGNHDAOTUTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O5/c1-31(2)27(36)19-5-3-18(4-6-19)15-32-13-11-29(12-14-32)17-38-25-21-16-33(23-9-10-24(34)30-26(23)35)28(37)20(21)7-8-22(25)29/h3-8,23H,9-17H2,1-2H3,(H,30,34,35).

What are the key properties of 4-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]-N,N-dimethylbenzamide?

4-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]-N,N-dimethylbenzamide has a molecular weight of 516.60 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 169201456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).