2,6-bis(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C28H44N4O4 — CID 54056838

IUPAC2,6-bis(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCC1(C)CC(N2C(=O)C3CC4C(=O)N(C5CC(C)(C)NC(C)(C)C5)C(=O)C4CC3C2=O)CC(C)(C)N1
InChIInChI=1S/C28H44N4O4/c1-25(2)11-15(12-26(3,4)29-25)31-21(33)17-9-19-20(10-18(17)22(31)34)24(36)32(23(19)35)16-13-27(5,6)30-28(7,8)14-16/h15-20,29-30H,9-14H2,1-8H3
InChIKeyBSCGSVWCQDZCOG-UHFFFAOYSA-N
MW500.68 g/mol
LogP2.60
Rot. Bonds2

About 2,6-bis(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2,6-bis(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 54056838) has the molecular formula C28H44N4O4 and a molecular weight of 500.68 g/mol. Its IUPAC name is 2,6-bis(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2,6-bis(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID54056838
Molecular FormulaC28H44N4O4
Molecular Weight500.68 g/mol
Exact Mass500.34
IUPAC Name2,6-bis(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCC1(C)CC(N2C(=O)C3CC4C(=O)N(C5CC(C)(C)NC(C)(C)C5)C(=O)C4CC3C2=O)CC(C)(C)N1
InChIInChI=1S/C28H44N4O4/c1-25(2)11-15(12-26(3,4)29-25)31-21(33)17-9-19-20(10-18(17)22(31)34)24(36)32(23(19)35)16-13-27(5,6)30-28(7,8)14-16/h15-20,29-30H,9-14H2,1-8H3
InChIKeyBSCGSVWCQDZCOG-UHFFFAOYSA-N
XLogP2.60
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.68
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,6-bis(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone with MolForge

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Related Compounds

Hexahydro-N-(2,2,6,6-tetramethyl-4-piperidyl)phthalimide
CID 3018856
Hexahydro-4-methyl-N-(2,2,6,6-tetramethyl-4-piperidyl)phthalimide
CID 3018858
3-[2,5-Dioxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 14365941
3-Methyl-4-[2-[4-(2-methylbutyl)-2,5-dioxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]butyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 18715875
4-Methyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 20520760
3-Ethyl-4-[2-[4-(2-ethylbutyl)-2,5-dioxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]butyl]-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 53693766
2,6-Bis[2-hydroxy-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 54145976
3-Dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione;3-dodecyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 69648283
3-Dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione;1-(3-dodecyl-2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 69957672
2-(4-Methylcyclohexyl)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 121431998
5-(1,3-Dioxo-3a,4,5,6,7,7a-hexahydroisoindol-5-yl)-2-(3-methylcyclohexyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 140733600
5-(1,3-Dioxo-3a,4,5,6,7,7a-hexahydroisoindole-5-carbonyl)-2-(3-methylcyclohexyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 140733601

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2,6-bis(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 54056838) is 2,6-bis(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2,6-bis(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2,6-bis(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is CC1(C)CC(N2C(=O)C3CC4C(=O)N(C5CC(C)(C)NC(C)(C)C5)C(=O)C4CC3C2=O)CC(C)(C)N1.
What is the InChIKey of 2,6-bis(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is BSCGSVWCQDZCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N4O4/c1-25(2)11-15(12-26(3,4)29-25)31-21(33)17-9-19-20(10-18(17)22(31)34)24(36)32(23(19)35)16-13-27(5,6)30-28(7,8)14-16/h15-20,29-30H,9-14H2,1-8H3.
What are the key properties of 2,6-bis(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2,6-bis(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 500.68 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 54056838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).