2-(2,6-dioxopiperidin-3-yl)-5-[2-[9-(2-hydroxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethoxy]isoindole-1,3-dione

C25H32N4O7 — CID 134492964

About 2-(2,6-dioxopiperidin-3-yl)-5-[2-[9-(2-hydroxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethoxy]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[2-[9-(2-hydroxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethoxy]isoindole-1,3-dione (PubChem CID 134492964) has the molecular formula C25H32N4O7 and a molecular weight of 500.55 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[9-(2-hydroxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[2-[9-(2-hydroxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethoxy]isoindole-1,3-dione
• PubChem CID: 134492964
• Molecular Formula: C25H32N4O7
• Molecular Weight: 500.55 g/mol
• Exact Mass: 500.23
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[2-[9-(2-hydroxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethoxy]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(OCCN4CCOC5(CCN(CCO)CC5)C4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C25H32N4O7/c30-12-9-27-7-5-25(6-8-27)16-28(11-14-36-25)10-13-35-17-1-2-18-19(15-17)24(34)29(23(18)33)20-3-4-21(31)26-22(20)32/h1-2,15,20,30H,3-14,16H2,(H,26,31,32)
• InChIKey: WKTPSEATHYBQDU-UHFFFAOYSA-N
• XLogP: -0.37
• TPSA: 128.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.55
LogP ≤ 5	-0.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[9-(2-hydroxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethoxy]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[9-(2-hydroxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethoxy]isoindole-1,3-dione (CID 134492964) is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[9-(2-hydroxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethoxy]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[9-(2-hydroxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethoxy]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[9-(2-hydroxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethoxy]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(OCCN4CCOC5(CCN(CCO)CC5)C4)cc3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[9-(2-hydroxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethoxy]isoindole-1,3-dione?

The InChIKey is WKTPSEATHYBQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O7/c30-12-9-27-7-5-25(6-8-27)16-28(11-14-36-25)10-13-35-17-1-2-18-19(15-17)24(34)29(23(18)33)20-3-4-21(31)26-22(20)32/h1-2,15,20,30H,3-14,16H2,(H,26,31,32).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[9-(2-hydroxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethoxy]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[2-[9-(2-hydroxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethoxy]isoindole-1,3-dione has a molecular weight of 500.55 g/mol, XLogP of -0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[9-(2-hydroxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 134492964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).