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

C49H53N5O5 — CID 164923589

IUPAC2-(2,6-dioxopiperidin-3-yl)-6-[[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(CC2CCN(CC3CCN(c5ccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccccc6)cc5)CC3)CC2)C4)C(=O)N1
InChIInChI=1S/C49H53N5O5/c55-39-11-13-41-35(24-39)8-12-40(33-4-2-1-3-5-33)46(41)34-6-9-38(10-7-34)53-22-18-32(19-23-53)27-51-20-16-31(17-21-51)28-52-29-36-25-42-43(26-37(36)30-52)49(59)54(48(42)58)44-14-15-45(56)50-47(44)57/h1-7,9-11,13,24-26,31-32,40,44,46,55H,8,12,14-23,27-30H2,(H,50,56,57)/t40-,44?,46+/m1/s1
InChIKeyGLIOFKBFGNGYKR-GVRKZEHUSA-N
MW791.99 g/mol
LogP6.60
Rot. Bonds8

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

2-(2,6-dioxopiperidin-3-yl)-6-[[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (PubChem CID 164923589) has the molecular formula C49H53N5O5 and a molecular weight of 791.99 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-6-[[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
PubChem CID164923589
Molecular FormulaC49H53N5O5
Molecular Weight791.99 g/mol
Exact Mass791.40
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-6-[[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(CC2CCN(CC3CCN(c5ccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccccc6)cc5)CC3)CC2)C4)C(=O)N1
InChIInChI=1S/C49H53N5O5/c55-39-11-13-41-35(24-39)8-12-40(33-4-2-1-3-5-33)46(41)34-6-9-38(10-7-34)53-22-18-32(19-23-53)27-51-20-16-31(17-21-51)28-52-29-36-25-42-43(26-37(36)30-52)49(59)54(48(42)58)44-14-15-45(56)50-47(44)57/h1-7,9-11,13,24-26,31-32,40,44,46,55H,8,12,14-23,27-30H2,(H,50,56,57)/t40-,44?,46+/m1/s1
InChIKeyGLIOFKBFGNGYKR-GVRKZEHUSA-N
XLogP6.60
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.99
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (CID 164923589) is 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-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-[[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(CC2CCN(CC3CCN(c5ccc([C@@H]6c7ccc(O)cc7CC[C@@H]6c6ccccc6)cc5)CC3)CC2)C4)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?
The InChIKey is GLIOFKBFGNGYKR-GVRKZEHUSA-N. The full InChI is InChI=1S/C49H53N5O5/c55-39-11-13-41-35(24-39)8-12-40(33-4-2-1-3-5-33)46(41)34-6-9-38(10-7-34)53-22-18-32(19-23-53)27-51-20-16-31(17-21-51)28-52-29-36-25-42-43(26-37(36)30-52)49(59)54(48(42)58)44-14-15-45(56)50-47(44)57/h1-7,9-11,13,24-26,31-32,40,44,46,55H,8,12,14-23,27-30H2,(H,50,56,57)/t40-,44?,46+/m1/s1.
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-6-[[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione has a molecular weight of 791.99 g/mol, XLogP of 6.60, 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-[[1-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is sourced from PubChem (CID 164923589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).