2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione

C28H24N4O10 — CID 158666282

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione
SMILESCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/2C14H12N2O5/c2*1-21-9-4-2-3-7-11(9)14(20)16(13(7)19)8-5-6-10(17)15-12(8)18/h2*2-4,8H,5-6H2,1H3,(H,15,17,18)
InChIKeyIDJWIZXKCLFNBA-UHFFFAOYSA-N
MW576.52 g/mol
LogP0.19
Rot. Bonds4

About 2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione (PubChem CID 158666282) has the molecular formula C28H24N4O10 and a molecular weight of 576.52 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione
PubChem CID158666282
Molecular FormulaC28H24N4O10
Molecular Weight576.52 g/mol
Exact Mass576.15
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione
SMILESCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/2C14H12N2O5/c2*1-21-9-4-2-3-7-11(9)14(20)16(13(7)19)8-5-6-10(17)15-12(8)18/h2*2-4,8H,5-6H2,1H3,(H,15,17,18)
InChIKeyIDJWIZXKCLFNBA-UHFFFAOYSA-N
XLogP0.19
TPSA185.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.52
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione with MolForge

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane
CID 166167636
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl iodide
CID 164925007
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
4-(2,5-dimethoxyanilino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 58827357
2-(2,6-dioxopiperidin-3-yl)-4-methyliodanuidylisoindole-1,3-dione
CID 156883025
2-[(3R)-2,6-dioxopiperidin-3-yl]-4-(methylamino)isoindole-1,3-dione
CID 139441450

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione (CID 158666282) is 2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione is COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione?
The InChIKey is IDJWIZXKCLFNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12N2O5/c2*1-21-9-4-2-3-7-11(9)14(20)16(13(7)19)8-5-6-10(17)15-12(8)18/h2*2-4,8H,5-6H2,1H3,(H,15,17,18).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione has a molecular weight of 576.52 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione is sourced from PubChem (CID 158666282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).