3-[1'-[(3-morpholin-4-ylphenyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione

C30H34N4O5 — CID 169201129

About 3-[1'-[(3-morpholin-4-ylphenyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione

3-[1'-[(3-morpholin-4-ylphenyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione (PubChem CID 169201129) has the molecular formula C30H34N4O5 and a molecular weight of 530.63 g/mol. Its IUPAC name is 3-[1'-[(3-morpholin-4-ylphenyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[1'-[(3-morpholin-4-ylphenyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
• PubChem CID: 169201129
• Molecular Formula: C30H34N4O5
• Molecular Weight: 530.63 g/mol
• Exact Mass: 530.25
• IUPAC Name: 3-[1'-[(3-morpholin-4-ylphenyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3c(ccc4c3OCC43CCN(Cc4cccc(N5CCOCC5)c4)CC3)C2=O)C(=O)N1
• InChI: InChI=1S/C30H34N4O5/c35-26-7-6-25(28(36)31-26)34-18-23-22(29(34)37)4-5-24-27(23)39-19-30(24)8-10-32(11-9-30)17-20-2-1-3-21(16-20)33-12-14-38-15-13-33/h1-5,16,25H,6-15,17-19H2,(H,31,35,36)
• InChIKey: SFRTWPBADJTPFK-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 91.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.63
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[1'-[(3-morpholin-4-ylphenyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione (CID 169201129) is 3-[1'-[(3-morpholin-4-ylphenyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione.

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

The canonical SMILES for 3-[1'-[(3-morpholin-4-ylphenyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(ccc4c3OCC43CCN(Cc4cccc(N5CCOCC5)c4)CC3)C2=O)C(=O)N1.

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

The InChIKey is SFRTWPBADJTPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O5/c35-26-7-6-25(28(36)31-26)34-18-23-22(29(34)37)4-5-24-27(23)39-19-30(24)8-10-32(11-9-30)17-20-2-1-3-21(16-20)33-12-14-38-15-13-33/h1-5,16,25H,6-15,17-19H2,(H,31,35,36).

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

3-[1'-[(3-morpholin-4-ylphenyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione has a molecular weight of 530.63 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1'-[(3-morpholin-4-ylphenyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione is sourced from PubChem (CID 169201129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).