2-(2,6-dioxopiperidin-3-yl)-5-[13-[4-[2-[4-[[2-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]tridecylamino]isoindole-1,3-dione

C55H70N6O6 — CID 176626371

About 2-(2,6-dioxopiperidin-3-yl)-5-[13-[4-[2-[4-[[2-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]tridecylamino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[13-[4-[2-[4-[[2-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]tridecylamino]isoindole-1,3-dione (PubChem CID 176626371) has the molecular formula C55H70N6O6 and a molecular weight of 911.20 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[13-[4-[2-[4-[[2-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]tridecylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[13-[4-[2-[4-[[2-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]tridecylamino]isoindole-1,3-dione
• PubChem CID: 176626371
• Molecular Formula: C55H70N6O6
• Molecular Weight: 911.20 g/mol
• Exact Mass: 910.54
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[13-[4-[2-[4-[[2-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]tridecylamino]isoindole-1,3-dione
• SMILES: CC1CCC2(CCN(c3nccc(COc4ccc(C(C)(C)c5ccc(OCCCCCCCCCCCCCNc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)cc5)cc4)n3)C2)C1
• InChI: InChI=1S/C55H70N6O6/c1-39-27-29-55(36-39)30-33-60(38-55)53-57-32-28-43(58-53)37-67-45-22-17-41(18-23-45)54(2,3)40-15-20-44(21-16-40)66-34-14-12-10-8-6-4-5-7-9-11-13-31-56-42-19-24-46-47(35-42)52(65)61(51(46)64)48-25-26-49(62)59-50(48)63/h15-24,28,32,35,39,48,56H,4-14,25-27,29-31,33-34,36-38H2,1-3H3,(H,59,62,63)
• InChIKey: JCPPNLBOXWIPRI-UHFFFAOYSA-N
• XLogP: 10.58
• TPSA: 143.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 23
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.20
LogP ≤ 5	10.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[13-[4-[2-[4-[[2-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]tridecylamino]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[13-[4-[2-[4-[[2-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]tridecylamino]isoindole-1,3-dione (CID 176626371) is 2-(2,6-dioxopiperidin-3-yl)-5-[13-[4-[2-[4-[[2-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]tridecylamino]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[13-[4-[2-[4-[[2-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]tridecylamino]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[13-[4-[2-[4-[[2-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]tridecylamino]isoindole-1,3-dione is CC1CCC2(CCN(c3nccc(COc4ccc(C(C)(C)c5ccc(OCCCCCCCCCCCCCNc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)cc5)cc4)n3)C2)C1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[13-[4-[2-[4-[[2-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]tridecylamino]isoindole-1,3-dione?

The InChIKey is JCPPNLBOXWIPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H70N6O6/c1-39-27-29-55(36-39)30-33-60(38-55)53-57-32-28-43(58-53)37-67-45-22-17-41(18-23-45)54(2,3)40-15-20-44(21-16-40)66-34-14-12-10-8-6-4-5-7-9-11-13-31-56-42-19-24-46-47(35-42)52(65)61(51(46)64)48-25-26-49(62)59-50(48)63/h15-24,28,32,35,39,48,56H,4-14,25-27,29-31,33-34,36-38H2,1-3H3,(H,59,62,63).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[13-[4-[2-[4-[[2-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]tridecylamino]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[13-[4-[2-[4-[[2-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]tridecylamino]isoindole-1,3-dione has a molecular weight of 911.20 g/mol, XLogP of 10.58, 23 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[13-[4-[2-[4-[[2-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]tridecylamino]isoindole-1,3-dione is sourced from PubChem (CID 176626371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).