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

C30H28ClN3O4 — CID 169201224

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

3-[1'-[(4-chloronaphthalen-1-yl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione (PubChem CID 169201224) has the molecular formula C30H28ClN3O4 and a molecular weight of 530.02 g/mol. Its IUPAC name is 3-[1'-[(4-chloronaphthalen-1-yl)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'-[(4-chloronaphthalen-1-yl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
• PubChem CID: 169201224
• Molecular Formula: C30H28ClN3O4
• Molecular Weight: 530.02 g/mol
• Exact Mass: 529.18
• IUPAC Name: 3-[1'-[(4-chloronaphthalen-1-yl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3c(ccc4c3OCC43CCN(Cc4ccc(Cl)c5ccccc45)CC3)C2=O)C(=O)N1
• InChI: InChI=1S/C30H28ClN3O4/c31-24-8-5-18(19-3-1-2-4-20(19)24)15-33-13-11-30(12-14-33)17-38-27-22-16-34(25-9-10-26(35)32-28(25)36)29(37)21(22)6-7-23(27)30/h1-8,25H,9-17H2,(H,32,35,36)
• InChIKey: UKWUIHVHHLSOEU-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.02
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1'-[(4-chloronaphthalen-1-yl)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'-[(4-chloronaphthalen-1-yl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione (CID 169201224) is 3-[1'-[(4-chloronaphthalen-1-yl)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'-[(4-chloronaphthalen-1-yl)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'-[(4-chloronaphthalen-1-yl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(ccc4c3OCC43CCN(Cc4ccc(Cl)c5ccccc45)CC3)C2=O)C(=O)N1.

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

The InChIKey is UKWUIHVHHLSOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN3O4/c31-24-8-5-18(19-3-1-2-4-20(19)24)15-33-13-11-30(12-14-33)17-38-27-22-16-34(25-9-10-26(35)32-28(25)36)29(37)21(22)6-7-23(27)30/h1-8,25H,9-17H2,(H,32,35,36).

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

3-[1'-[(4-chloronaphthalen-1-yl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione has a molecular weight of 530.02 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1'-[(4-chloronaphthalen-1-yl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione is sourced from PubChem (CID 169201224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).