2-(2,6-dioxopiperidin-3-yl)-6-[[3-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

C53H58N4O6 — CID 171719940

About 2-(2,6-dioxopiperidin-3-yl)-6-[[3-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-6-[[3-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (PubChem CID 171719940) has the molecular formula C53H58N4O6 and a molecular weight of 847.07 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-6-[[3-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-6-[[3-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• PubChem CID: 171719940
• Molecular Formula: C53H58N4O6
• Molecular Weight: 847.07 g/mol
• Exact Mass: 846.44
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-6-[[3-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• SMILES: CC(C)(C)Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(C(=O)N2CCC3(CCC(CN4Cc5cc6c(cc5C4)C(=O)N(C4CCC(=O)NC4=O)C6=O)CC3)CC2)cc1
• InChI: InChI=1S/C53H58N4O6/c1-52(2,3)63-40-14-16-42-37(27-40)13-15-41(34-7-5-4-6-8-34)47(42)35-9-11-36(12-10-35)49(60)56-25-23-53(24-26-56)21-19-33(20-22-53)30-55-31-38-28-43-44(29-39(38)32-55)51(62)57(50(43)61)45-17-18-46(58)54-48(45)59/h4-12,14,16,27-29,33,41,45,47H,13,15,17-26,30-32H2,1-3H3,(H,54,58,59)/t41-,45?,47+/m1/s1
• InChIKey: RDTGYVASJBTSCE-CGMKMISBSA-N
• XLogP: 8.56
• TPSA: 116.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	847.07
LogP ≤ 5	8.56
H-Bond Donors ≤ 5	1
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)-6-[[3-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-[[3-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (CID 171719940) is 2-(2,6-dioxopiperidin-3-yl)-6-[[3-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-6-[[3-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-6-[[3-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is CC(C)(C)Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(C(=O)N2CCC3(CCC(CN4Cc5cc6c(cc5C4)C(=O)N(C4CCC(=O)NC4=O)C6=O)CC3)CC2)cc1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-6-[[3-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The InChIKey is RDTGYVASJBTSCE-CGMKMISBSA-N. The full InChI is InChI=1S/C53H58N4O6/c1-52(2,3)63-40-14-16-42-37(27-40)13-15-41(34-7-5-4-6-8-34)47(42)35-9-11-36(12-10-35)49(60)56-25-23-53(24-26-56)21-19-33(20-22-53)30-55-31-38-28-43-44(29-39(38)32-55)51(62)57(50(43)61)45-17-18-46(58)54-48(45)59/h4-12,14,16,27-29,33,41,45,47H,13,15,17-26,30-32H2,1-3H3,(H,54,58,59)/t41-,45?,47+/m1/s1.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-6-[[3-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-6-[[3-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione has a molecular weight of 847.07 g/mol, XLogP of 8.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-6-[[3-[4-[(1R,2S)-6-[(2-methylpropan-2-yl)oxy]-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is sourced from PubChem (CID 171719940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).