2-(2,6-dioxopiperidin-3-yl)-6-[[1-[1-oxo-2-(2,2,4,4-tetramethylcyclobutyl)-3H-isoindole-5-carbonyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

C38H43N5O6 — CID 166847364

IUPAC2-(2,6-dioxopiperidin-3-yl)-6-[[1-[1-oxo-2-(2,2,4,4-tetramethylcyclobutyl)-3H-isoindole-5-carbonyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
SMILESCC1(C)CC(C)(C)C1N1Cc2cc(C(=O)N3CCC(CN4Cc5cc6c(cc5C4)C(=O)N(C4CCC(=O)NC4=O)C6=O)CC3)ccc2C1=O
InChIInChI=1S/C38H43N5O6/c1-37(2)20-38(3,4)36(37)42-19-25-13-22(5-6-26(25)33(42)47)32(46)41-11-9-21(10-12-41)16-40-17-23-14-27-28(15-24(23)18-40)35(49)43(34(27)48)29-7-8-30(44)39-31(29)45/h5-6,13-15,21,29,36H,7-12,16-20H2,1-4H3,(H,39,44,45)
InChIKeyUCDRVQVEWQUZOT-UHFFFAOYSA-N
MW665.79 g/mol
LogP3.74
Rot. Bonds5

About 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[1-oxo-2-(2,2,4,4-tetramethylcyclobutyl)-3H-isoindole-5-carbonyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-6-[[1-[1-oxo-2-(2,2,4,4-tetramethylcyclobutyl)-3H-isoindole-5-carbonyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (PubChem CID 166847364) has the molecular formula C38H43N5O6 and a molecular weight of 665.79 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[1-oxo-2-(2,2,4,4-tetramethylcyclobutyl)-3H-isoindole-5-carbonyl]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-oxo-2-(2,2,4,4-tetramethylcyclobutyl)-3H-isoindole-5-carbonyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
PubChem CID166847364
Molecular FormulaC38H43N5O6
Molecular Weight665.79 g/mol
Exact Mass665.32
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-6-[[1-[1-oxo-2-(2,2,4,4-tetramethylcyclobutyl)-3H-isoindole-5-carbonyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
SMILESCC1(C)CC(C)(C)C1N1Cc2cc(C(=O)N3CCC(CN4Cc5cc6c(cc5C4)C(=O)N(C4CCC(=O)NC4=O)C6=O)CC3)ccc2C1=O
InChIInChI=1S/C38H43N5O6/c1-37(2)20-38(3,4)36(37)42-19-25-13-22(5-6-26(25)33(42)47)32(46)41-11-9-21(10-12-41)16-40-17-23-14-27-28(15-24(23)18-40)35(49)43(34(27)48)29-7-8-30(44)39-31(29)45/h5-6,13-15,21,29,36H,7-12,16-20H2,1-4H3,(H,39,44,45)
InChIKeyUCDRVQVEWQUZOT-UHFFFAOYSA-N
XLogP3.74
TPSA127.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500665.79
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[1-oxo-2-(2,2,4,4-tetramethylcyclobutyl)-3H-isoindole-5-carbonyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione with MolForge

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Related Compounds

3-[6-(2,5-dihydropyrrole-1-carbonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146150009
N-cyclobutyl-4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]methyl]piperidin-1-yl]benzamide
CID 170393324
4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 166426937
4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-hydroxypiperidin-1-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 166469598
N-[3-(3-chloro-4-isocyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-5,7-dihydro-3H-pyrrolo[3,4-f]isoindol-6-yl]methyl]piperidine-1-carbonyl]benzamide
CID 170513796
3-[6-[4-[bis(4-hydroxyphenyl)methyl]piperazine-1-carbonyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171829177
tert-butyl 4-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]methoxy]ethyl]piperidine-1-carboxylate
CID 166066158
3-[6-[4-[1-(4-amino-3-methoxybenzoyl)piperidin-4-yl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170359293
4-[4-[[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-fluoro-N-(2,2,4,4-tetramethylcyclobutyl)benzamide
CID 155296773
3-[6-(3-benzhydrylimidazolidine-1-carbonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171829213
3-[6-(2-methylpropanoyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177251287
3-[6-[4-[[1-[4-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]piperazine-1-carbonyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165406992

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[1-oxo-2-(2,2,4,4-tetramethylcyclobutyl)-3H-isoindole-5-carbonyl]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-oxo-2-(2,2,4,4-tetramethylcyclobutyl)-3H-isoindole-5-carbonyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (CID 166847364) is 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[1-oxo-2-(2,2,4,4-tetramethylcyclobutyl)-3H-isoindole-5-carbonyl]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-oxo-2-(2,2,4,4-tetramethylcyclobutyl)-3H-isoindole-5-carbonyl]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-oxo-2-(2,2,4,4-tetramethylcyclobutyl)-3H-isoindole-5-carbonyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is CC1(C)CC(C)(C)C1N1Cc2cc(C(=O)N3CCC(CN4Cc5cc6c(cc5C4)C(=O)N(C4CCC(=O)NC4=O)C6=O)CC3)ccc2C1=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[1-oxo-2-(2,2,4,4-tetramethylcyclobutyl)-3H-isoindole-5-carbonyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?
The InChIKey is UCDRVQVEWQUZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43N5O6/c1-37(2)20-38(3,4)36(37)42-19-25-13-22(5-6-26(25)33(42)47)32(46)41-11-9-21(10-12-41)16-40-17-23-14-27-28(15-24(23)18-40)35(49)43(34(27)48)29-7-8-30(44)39-31(29)45/h5-6,13-15,21,29,36H,7-12,16-20H2,1-4H3,(H,39,44,45).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[1-oxo-2-(2,2,4,4-tetramethylcyclobutyl)-3H-isoindole-5-carbonyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-6-[[1-[1-oxo-2-(2,2,4,4-tetramethylcyclobutyl)-3H-isoindole-5-carbonyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione has a molecular weight of 665.79 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-6-[[1-[1-oxo-2-(2,2,4,4-tetramethylcyclobutyl)-3H-isoindole-5-carbonyl]piperidin-4-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is sourced from PubChem (CID 166847364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).