2-(2,6-dioxopiperidin-3-yl)-6-[[4-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]-methylamino]cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

C50H55N5O5 — CID 164924020

About 2-(2,6-dioxopiperidin-3-yl)-6-[[4-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]-methylamino]cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-6-[[4-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]-methylamino]cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (PubChem CID 164924020) has the molecular formula C50H55N5O5 and a molecular weight of 806.02 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-6-[[4-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]-methylamino]cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-6-[[4-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]-methylamino]cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• PubChem CID: 164924020
• Molecular Formula: C50H55N5O5
• Molecular Weight: 806.02 g/mol
• Exact Mass: 805.42
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-6-[[4-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]-methylamino]cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• SMILES: CN(C1CCC(CN2Cc3cc4c(cc3C2)C(=O)N(C2CCC(=O)NC2=O)C4=O)CC1)C1CCN(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1
• InChI: InChI=1S/C50H55N5O5/c1-52(37-12-7-31(8-13-37)28-53-29-35-26-43-44(27-36(35)30-53)50(60)55(49(43)59)45-19-20-46(57)51-48(45)58)38-21-23-54(24-22-38)39-14-9-33(10-15-39)47-41(32-5-3-2-4-6-32)17-11-34-25-40(56)16-18-42(34)47/h2-6,9-10,14-16,18,25-27,31,37-38,41,45,47,56H,7-8,11-13,17,19-24,28-30H2,1H3,(H,51,57,58)/t31?,37?,41-,45?,47+/m1/s1
• InChIKey: YPIIDSFWHSVDFQ-NRMSHINYSA-N
• XLogP: 7.13
• TPSA: 113.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.02
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-[[4-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]-methylamino]cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-[[4-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]-methylamino]cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (CID 164924020) is 2-(2,6-dioxopiperidin-3-yl)-6-[[4-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]-methylamino]cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-6-[[4-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]-methylamino]cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-6-[[4-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]-methylamino]cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is CN(C1CCC(CN2Cc3cc4c(cc3C2)C(=O)N(C2CCC(=O)NC2=O)C4=O)CC1)C1CCN(c2ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)cc2)CC1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-6-[[4-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]-methylamino]cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The InChIKey is YPIIDSFWHSVDFQ-NRMSHINYSA-N. The full InChI is InChI=1S/C50H55N5O5/c1-52(37-12-7-31(8-13-37)28-53-29-35-26-43-44(27-36(35)30-53)50(60)55(49(43)59)45-19-20-46(57)51-48(45)58)38-21-23-54(24-22-38)39-14-9-33(10-15-39)47-41(32-5-3-2-4-6-32)17-11-34-25-40(56)16-18-42(34)47/h2-6,9-10,14-16,18,25-27,31,37-38,41,45,47,56H,7-8,11-13,17,19-24,28-30H2,1H3,(H,51,57,58)/t31?,37?,41-,45?,47+/m1/s1.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-6-[[4-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]-methylamino]cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-6-[[4-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]-methylamino]cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione has a molecular weight of 806.02 g/mol, XLogP of 7.13, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-6-[[4-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]-methylamino]cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is sourced from PubChem (CID 164924020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).