3-[1'-[(2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione

C31H35N3O5 — CID 169242357

About 3-[1'-[(2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione

3-[1'-[(2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione (PubChem CID 169242357) has the molecular formula C31H35N3O5 and a molecular weight of 529.64 g/mol. Its IUPAC name is 3-[1'-[(2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[1'-[(2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
• PubChem CID: 169242357
• Molecular Formula: C31H35N3O5
• Molecular Weight: 529.64 g/mol
• Exact Mass: 529.26
• IUPAC Name: 3-[1'-[(2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione
• SMILES: CC1(C)CCc2cccc(CN3CCC4(CC3)COc3cc5c(cc34)CN(C3CCC(=O)NC3=O)C5=O)c2O1
• InChI: InChI=1S/C31H35N3O5/c1-30(2)9-8-19-4-3-5-20(27(19)39-30)16-33-12-10-31(11-13-33)18-38-25-15-22-21(14-23(25)31)17-34(29(22)37)24-6-7-26(35)32-28(24)36/h3-5,14-15,24H,6-13,16-18H2,1-2H3,(H,32,35,36)
• InChIKey: WFEFIODCDLPMPM-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.64
LogP ≤ 5	3.48
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 3-[1'-[(2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione?

The IUPAC name of 3-[1'-[(2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione (CID 169242357) is 3-[1'-[(2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[1'-[(2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[1'-[(2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione is CC1(C)CCc2cccc(CN3CCC4(CC3)COc3cc5c(cc34)CN(C3CCC(=O)NC3=O)C5=O)c2O1.

What is the InChIKey of 3-[1'-[(2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione?

The InChIKey is WFEFIODCDLPMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O5/c1-30(2)9-8-19-4-3-5-20(27(19)39-30)16-33-12-10-31(11-13-33)18-38-25-15-22-21(14-23(25)31)17-34(29(22)37)24-6-7-26(35)32-28(24)36/h3-5,14-15,24H,6-13,16-18H2,1-2H3,(H,32,35,36).

What are the key properties of 3-[1'-[(2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione?

3-[1'-[(2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione has a molecular weight of 529.64 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1'-[(2,2-dimethyl-3,4-dihydrochromen-8-yl)methyl]-7-oxospiro[2,5-dihydrofuro[2,3-f]isoindole-3,4'-piperidine]-6-yl]piperidine-2,6-dione is sourced from PubChem (CID 169242357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).