2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

C46H45N5O6 — CID 170729832

About 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (PubChem CID 170729832) has the molecular formula C46H45N5O6 and a molecular weight of 763.90 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• PubChem CID: 170729832
• Molecular Formula: C46H45N5O6
• Molecular Weight: 763.90 g/mol
• Exact Mass: 763.34
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(CC(=O)N2CCC3(CC2)CN(c2ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc2)C3)C4)C(=O)N1
• InChI: InChI=1S/C46H45N5O6/c52-34-11-13-36-30(20-34)8-12-35(28-4-2-1-3-5-28)42(36)29-6-9-33(10-7-29)50-26-46(27-50)16-18-49(19-17-46)41(54)25-48-23-31-21-37-38(22-32(31)24-48)45(57)51(44(37)56)39-14-15-40(53)47-43(39)55/h1-7,9-11,13,20-22,35,39,42,52H,8,12,14-19,23-27H2,(H,47,53,55)/t35-,39?,42+/m1/s1
• InChIKey: JSLJXCMFGCYXEV-HJNPNHQXSA-N
• XLogP: 5.10
• TPSA: 130.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.90
LogP ≤ 5	5.10
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-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (CID 170729832) is 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(CC(=O)N2CCC3(CC2)CN(c2ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc2)C3)C4)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The InChIKey is JSLJXCMFGCYXEV-HJNPNHQXSA-N. The full InChI is InChI=1S/C46H45N5O6/c52-34-11-13-36-30(20-34)8-12-35(28-4-2-1-3-5-28)42(36)29-6-9-33(10-7-29)50-26-46(27-50)16-18-49(19-17-46)41(54)25-48-23-31-21-37-38(22-32(31)24-48)45(57)51(44(37)56)39-14-15-40(53)47-43(39)55/h1-7,9-11,13,20-22,35,39,42,52H,8,12,14-19,23-27H2,(H,47,53,55)/t35-,39?,42+/m1/s1.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione has a molecular weight of 763.90 g/mol, XLogP of 5.10, 6 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-[2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,7-diazaspiro[3.5]nonan-7-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is sourced from PubChem (CID 170729832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).