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

C47H48N4O5 — CID 171720030

About 2-(2,6-dioxopiperidin-3-yl)-6-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3-azaspiro[5.5]undecan-9-yl]-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]phenyl]-3-azaspiro[5.5]undecan-9-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (PubChem CID 171720030) has the molecular formula C47H48N4O5 and a molecular weight of 748.92 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]phenyl]-3-azaspiro[5.5]undecan-9-yl]-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]phenyl]-3-azaspiro[5.5]undecan-9-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• PubChem CID: 171720030
• Molecular Formula: C47H48N4O5
• Molecular Weight: 748.92 g/mol
• Exact Mass: 748.36
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-6-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3-azaspiro[5.5]undecan-9-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(C2CCC3(CC2)CCN(c2ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc2)CC3)C4)C(=O)N1
• InChI: InChI=1S/C47H48N4O5/c52-36-11-13-38-31(24-36)8-12-37(29-4-2-1-3-5-29)43(38)30-6-9-34(10-7-30)49-22-20-47(21-23-49)18-16-35(17-19-47)50-27-32-25-39-40(26-33(32)28-50)46(56)51(45(39)55)41-14-15-42(53)48-44(41)54/h1-7,9-11,13,24-26,35,37,41,43,52H,8,12,14-23,27-28H2,(H,48,53,54)/t37-,41?,43+/m1/s1
• InChIKey: LEARMTQFIIIHSQ-OUFUGTNJSA-N
• XLogP: 7.20
• TPSA: 110.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.92
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'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]phenyl]-3-azaspiro[5.5]undecan-9-yl]-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]phenyl]-3-azaspiro[5.5]undecan-9-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (CID 171720030) is 2-(2,6-dioxopiperidin-3-yl)-6-[3-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3-azaspiro[5.5]undecan-9-yl]-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]phenyl]-3-azaspiro[5.5]undecan-9-yl]-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]phenyl]-3-azaspiro[5.5]undecan-9-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(C2CCC3(CC2)CCN(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]phenyl]-3-azaspiro[5.5]undecan-9-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The InChIKey is LEARMTQFIIIHSQ-OUFUGTNJSA-N. The full InChI is InChI=1S/C47H48N4O5/c52-36-11-13-38-31(24-36)8-12-37(29-4-2-1-3-5-29)43(38)30-6-9-34(10-7-30)49-22-20-47(21-23-49)18-16-35(17-19-47)50-27-32-25-39-40(26-33(32)28-50)46(56)51(45(39)55)41-14-15-42(53)48-44(41)54/h1-7,9-11,13,24-26,35,37,41,43,52H,8,12,14-23,27-28H2,(H,48,53,54)/t37-,41?,43+/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]phenyl]-3-azaspiro[5.5]undecan-9-yl]-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]phenyl]-3-azaspiro[5.5]undecan-9-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione has a molecular weight of 748.92 g/mol, XLogP of 7.20, 5 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]phenyl]-3-azaspiro[5.5]undecan-9-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is sourced from PubChem (CID 171720030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).