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

C48H49N5O6 — CID 164923236

IUPAC2-(2,6-dioxopiperidin-3-yl)-6-[2-[9-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(CC(=O)N2CCC3(CC2)CCN(c2ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc2)CC3)C4)C(=O)N1
InChIInChI=1S/C48H49N5O6/c54-36-11-13-38-32(24-36)8-12-37(30-4-2-1-3-5-30)44(38)31-6-9-35(10-7-31)51-20-16-48(17-21-51)18-22-52(23-19-48)43(56)29-50-27-33-25-39-40(26-34(33)28-50)47(59)53(46(39)58)41-14-15-42(55)49-45(41)57/h1-7,9-11,13,24-26,37,41,44,54H,8,12,14-23,27-29H2,(H,49,55,57)/t37-,41?,44+/m1/s1
InChIKeyQSLOGDDNCAUEOM-ALPHEJHSSA-N
MW791.95 g/mol
LogP5.88
Rot. Bonds6

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

2-(2,6-dioxopiperidin-3-yl)-6-[2-[9-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (PubChem CID 164923236) 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-[9-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-6-[2-[9-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
PubChem CID164923236
Molecular FormulaC48H49N5O6
Molecular Weight791.95 g/mol
Exact Mass791.37
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-6-[2-[9-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3cc4c(cc3C2=O)CN(CC(=O)N2CCC3(CC2)CCN(c2ccc([C@@H]5c6ccc(O)cc6CC[C@@H]5c5ccccc5)cc2)CC3)C4)C(=O)N1
InChIInChI=1S/C48H49N5O6/c54-36-11-13-38-32(24-36)8-12-37(30-4-2-1-3-5-30)44(38)31-6-9-35(10-7-31)51-20-16-48(17-21-51)18-22-52(23-19-48)43(56)29-50-27-33-25-39-40(26-34(33)28-50)47(59)53(46(39)58)41-14-15-42(55)49-45(41)57/h1-7,9-11,13,24-26,37,41,44,54H,8,12,14-23,27-29H2,(H,49,55,57)/t37-,41?,44+/m1/s1
InChIKeyQSLOGDDNCAUEOM-ALPHEJHSSA-N
XLogP5.88
TPSA130.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.95
LogP ≤ 55.88
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-[2-[9-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-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-[2-[9-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,9-diazaspiro[5.5]undecan-3-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-[9-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (CID 164923236) is 2-(2,6-dioxopiperidin-3-yl)-6-[2-[9-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,9-diazaspiro[5.5]undecan-3-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-[9-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,9-diazaspiro[5.5]undecan-3-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-[9-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,9-diazaspiro[5.5]undecan-3-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)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-[2-[9-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?
The InChIKey is QSLOGDDNCAUEOM-ALPHEJHSSA-N. The full InChI is InChI=1S/C48H49N5O6/c54-36-11-13-38-32(24-36)8-12-37(30-4-2-1-3-5-30)44(38)31-6-9-35(10-7-31)51-20-16-48(17-21-51)18-22-52(23-19-48)43(56)29-50-27-33-25-39-40(26-34(33)28-50)47(59)53(46(39)58)41-14-15-42(55)49-45(41)57/h1-7,9-11,13,24-26,37,41,44,54H,8,12,14-23,27-29H2,(H,49,55,57)/t37-,41?,44+/m1/s1.
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-6-[2-[9-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-6-[2-[9-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,9-diazaspiro[5.5]undecan-3-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-[9-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is sourced from PubChem (CID 164923236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).