2-(2,6-dioxopiperidin-3-yl)-6-[2-[(3S)-8-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

C48H49N5O6 — CID 170729594

About 2-(2,6-dioxopiperidin-3-yl)-6-[2-[(3S)-8-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-6-[2-[(3S)-8-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (PubChem CID 170729594) has the molecular formula C48H49N5O6 and a molecular weight of 791.95 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-6-[2-[(3S)-8-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-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-[(3S)-8-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• PubChem CID: 170729594
• Molecular Formula: C48H49N5O6
• Molecular Weight: 791.95 g/mol
• Exact Mass: 791.37
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-6-[2-[(3S)-8-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• SMILES: C[C@H]1CC2(CCN(c3ccc([C@@H]4c5ccc(O)cc5CC[C@@H]4c4ccccc4)cc3)CC2)CN1C(=O)CN1Cc2cc3c(cc2C1)C(=O)N(C1CCC(=O)NC1=O)C3=O
• InChI: InChI=1S/C48H49N5O6/c1-29-24-48(28-52(29)43(56)27-50-25-33-22-39-40(23-34(33)26-50)47(59)53(46(39)58)41-15-16-42(55)49-45(41)57)17-19-51(20-18-48)35-10-7-31(8-11-35)44-37(30-5-3-2-4-6-30)13-9-32-21-36(54)12-14-38(32)44/h2-8,10-12,14,21-23,29,37,41,44,54H,9,13,15-20,24-28H2,1H3,(H,49,55,57)/t29-,37+,41?,44-/m0/s1
• InChIKey: LLMRVDMUMPTWKE-GZVAWPOBSA-N
• XLogP: 5.88
• TPSA: 130.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.95
LogP ≤ 5	5.88
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-[(3S)-8-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-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-[(3S)-8-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (CID 170729594) is 2-(2,6-dioxopiperidin-3-yl)-6-[2-[(3S)-8-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-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-[(3S)-8-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-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-[(3S)-8-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is C[C@H]1CC2(CCN(c3ccc([C@@H]4c5ccc(O)cc5CC[C@@H]4c4ccccc4)cc3)CC2)CN1C(=O)CN1Cc2cc3c(cc2C1)C(=O)N(C1CCC(=O)NC1=O)C3=O.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-6-[2-[(3S)-8-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The InChIKey is LLMRVDMUMPTWKE-GZVAWPOBSA-N. The full InChI is InChI=1S/C48H49N5O6/c1-29-24-48(28-52(29)43(56)27-50-25-33-22-39-40(23-34(33)26-50)47(59)53(46(39)58)41-15-16-42(55)49-45(41)57)17-19-51(20-18-48)35-10-7-31(8-11-35)44-37(30-5-3-2-4-6-30)13-9-32-21-36(54)12-14-38(32)44/h2-8,10-12,14,21-23,29,37,41,44,54H,9,13,15-20,24-28H2,1H3,(H,49,55,57)/t29-,37+,41?,44-/m0/s1.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-6-[2-[(3S)-8-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-6-[2-[(3S)-8-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione has a molecular weight of 791.95 g/mol, XLogP of 5.88, 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-[(3S)-8-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is sourced from PubChem (CID 170729594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).