2-(2,6-dioxopiperidin-3-yl)-5-[[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methylamino]methyl]isoindole-1,3-dione

C23H28N4O5 — CID 167714644

About 2-(2,6-dioxopiperidin-3-yl)-5-[[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methylamino]methyl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methylamino]methyl]isoindole-1,3-dione (PubChem CID 167714644) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methylamino]methyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methylamino]methyl]isoindole-1,3-dione
• PubChem CID: 167714644
• Molecular Formula: C23H28N4O5
• Molecular Weight: 440.50 g/mol
• Exact Mass: 440.21
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methylamino]methyl]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(CNCC4(CO)CC45CCNCC5)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C23H28N4O5/c28-13-23(11-22(23)5-7-24-8-6-22)12-25-10-14-1-2-15-16(9-14)21(32)27(20(15)31)17-3-4-18(29)26-19(17)30/h1-2,9,17,24-25,28H,3-8,10-13H2,(H,26,29,30)
• InChIKey: OTEVLSOULAKDGP-UHFFFAOYSA-N
• XLogP: -0.07
• TPSA: 127.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.50
LogP ≤ 5	-0.07
H-Bond Donors ≤ 5	4
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 2-(2,6-dioxopiperidin-3-yl)-5-[[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methylamino]methyl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methylamino]methyl]isoindole-1,3-dione (CID 167714644) is 2-(2,6-dioxopiperidin-3-yl)-5-[[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methylamino]methyl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methylamino]methyl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methylamino]methyl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(CNCC4(CO)CC45CCNCC5)cc3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methylamino]methyl]isoindole-1,3-dione?

The InChIKey is OTEVLSOULAKDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c28-13-23(11-22(23)5-7-24-8-6-22)12-25-10-14-1-2-15-16(9-14)21(32)27(20(15)31)17-3-4-18(29)26-19(17)30/h1-2,9,17,24-25,28H,3-8,10-13H2,(H,26,29,30).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methylamino]methyl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methylamino]methyl]isoindole-1,3-dione has a molecular weight of 440.50 g/mol, XLogP of -0.07, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[[[2-(hydroxymethyl)-6-azaspiro[2.5]octan-2-yl]methylamino]methyl]isoindole-1,3-dione is sourced from PubChem (CID 167714644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).