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

C34H34N4O5 — CID 176808589

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

N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]-4-methylbenzamide (PubChem CID 176808589) has the molecular formula C34H34N4O5 and a molecular weight of 578.67 g/mol. Its IUPAC name is N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]-4-methylbenzamide.

Molecular Properties

• Compound Name: N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]-4-methylbenzamide
• PubChem CID: 176808589
• Molecular Formula: C34H34N4O5
• Molecular Weight: 578.67 g/mol
• Exact Mass: 578.25
• IUPAC Name: N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]-4-methylbenzamide
• SMILES: Cc1ccc(C(=O)Nc2cccc(CN3CCC4(CC3)COc3c4ccc4c3CN(C3CCC(=O)NC3=O)C4=O)c2)cc1
• InChI: InChI=1S/C34H34N4O5/c1-21-5-7-23(8-6-21)31(40)35-24-4-2-3-22(17-24)18-37-15-13-34(14-16-37)20-43-30-26-19-38(28-11-12-29(39)36-32(28)41)33(42)25(26)9-10-27(30)34/h2-10,17,28H,11-16,18-20H2,1H3,(H,35,40)(H,36,39,41)
• InChIKey: NUUOUCMSNSOPKV-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	578.67
LogP ≤ 5	3.93
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 N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]-4-methylbenzamide?

The IUPAC name of N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]-4-methylbenzamide (CID 176808589) is N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]-4-methylbenzamide.

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

The canonical SMILES for N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(CN3CCC4(CC3)COc3c4ccc4c3CN(C3CCC(=O)NC3=O)C4=O)c2)cc1.

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

The InChIKey is NUUOUCMSNSOPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O5/c1-21-5-7-23(8-6-21)31(40)35-24-4-2-3-22(17-24)18-37-15-13-34(14-16-37)20-43-30-26-19-38(28-11-12-29(39)36-32(28)41)33(42)25(26)9-10-27(30)34/h2-10,17,28H,11-16,18-20H2,1H3,(H,35,40)(H,36,39,41).

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

N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]-4-methylbenzamide has a molecular weight of 578.67 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 176808589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).