4-[(6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C22H26N4O5 — CID 167735577

About 4-[(6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[(6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167735577) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-[(6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[(6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 167735577
• Molecular Formula: C22H26N4O5
• Molecular Weight: 426.47 g/mol
• Exact Mass: 426.19
• IUPAC Name: 4-[(6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: CC1(C)CN(Cc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC2(CNC2)O1
• InChI: InChI=1S/C22H26N4O5/c1-21(2)11-25(12-22(31-21)9-23-10-22)8-13-4-3-5-14-17(13)20(30)26(19(14)29)15-6-7-16(27)24-18(15)28/h3-5,15,23H,6-12H2,1-2H3,(H,24,27,28)
• InChIKey: NXBLOSXXUMTWPE-UHFFFAOYSA-N
• XLogP: 0.04
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.47
LogP ≤ 5	0.04
H-Bond Donors ≤ 5	2
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 4-[(6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-[(6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167735577) is 4-[(6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-[(6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-[(6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CC1(C)CN(Cc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC2(CNC2)O1.

What is the InChIKey of 4-[(6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is NXBLOSXXUMTWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-21(2)11-25(12-22(31-21)9-23-10-22)8-13-4-3-5-14-17(13)20(30)26(19(14)29)15-6-7-16(27)24-18(15)28/h3-5,15,23H,6-12H2,1-2H3,(H,24,27,28).

What are the key properties of 4-[(6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

4-[(6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 426.47 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167735577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).