2-(2,6-dioxopiperidin-3-yl)-6-[[3-[4-[(1R,2S)-6-hydroxy-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

C49H50N4O6 — CID 171719887

About 2-(2,6-dioxopiperidin-3-yl)-6-[[3-[4-[(1R,2S)-6-hydroxy-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-hydroxy-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 171719887) has the molecular formula C49H50N4O6 and a molecular weight of 790.96 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-6-[[3-[4-[(1R,2S)-6-hydroxy-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-hydroxy-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: 171719887
• Molecular Formula: C49H50N4O6
• Molecular Weight: 790.96 g/mol
• Exact Mass: 790.37
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-6-[[3-[4-[(1R,2S)-6-hydroxy-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: O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(CC2CCC3(CC2)CCN(C(=O)c2ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc2)CC3)C4)C(=O)N1
• InChI: InChI=1S/C49H50N4O6/c54-37-11-13-39-34(24-37)10-12-38(31-4-2-1-3-5-31)44(39)32-6-8-33(9-7-32)46(57)52-22-20-49(21-23-52)18-16-30(17-19-49)27-51-28-35-25-40-41(26-36(35)29-51)48(59)53(47(40)58)42-14-15-43(55)50-45(42)56/h1-9,11,13,24-26,30,38,42,44,54H,10,12,14-23,27-29H2,(H,50,55,56)/t38-,42?,44+/m1/s1
• InChIKey: HWBXNPWMSOBKCS-WWEQOKPKSA-N
• XLogP: 7.08
• TPSA: 127.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	790.96
LogP ≤ 5	7.08
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 2-(2,6-dioxopiperidin-3-yl)-6-[[3-[4-[(1R,2S)-6-hydroxy-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-hydroxy-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 171719887) is 2-(2,6-dioxopiperidin-3-yl)-6-[[3-[4-[(1R,2S)-6-hydroxy-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-hydroxy-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-hydroxy-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 O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(CC2CCC3(CC2)CCN(C(=O)c2ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc2)CC3)C4)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-6-[[3-[4-[(1R,2S)-6-hydroxy-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 HWBXNPWMSOBKCS-WWEQOKPKSA-N. The full InChI is InChI=1S/C49H50N4O6/c54-37-11-13-39-34(24-37)10-12-38(31-4-2-1-3-5-31)44(39)32-6-8-33(9-7-32)46(57)52-22-20-49(21-23-52)18-16-30(17-19-49)27-51-28-35-25-40-41(26-36(35)29-51)48(59)53(47(40)58)42-14-15-43(55)50-45(42)56/h1-9,11,13,24-26,30,38,42,44,54H,10,12,14-23,27-29H2,(H,50,55,56)/t38-,42?,44+/m1/s1.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-6-[[3-[4-[(1R,2S)-6-hydroxy-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-hydroxy-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 790.96 g/mol, XLogP of 7.08, 6 rotatable bonds, 2 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-hydroxy-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 171719887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).