2-(2,6-dioxopiperidin-3-yl)-5-[2-methoxyethyl(methyl)amino]isoindole-1,3-dione

C17H19N3O5 — CID 175658480

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[2-methoxyethyl(methyl)amino]isoindole-1,3-dione
SMILESCOCCN(C)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H19N3O5/c1-19(7-8-25-2)10-3-4-11-12(9-10)17(24)20(16(11)23)13-5-6-14(21)18-15(13)22/h3-4,9,13H,5-8H2,1-2H3,(H,18,21,22)
InChIKeyKGUMHYWWZCMOFV-UHFFFAOYSA-N
MW345.36 g/mol
LogP0.17
Rot. Bonds5

About 2-(2,6-dioxopiperidin-3-yl)-5-[2-methoxyethyl(methyl)amino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[2-methoxyethyl(methyl)amino]isoindole-1,3-dione (PubChem CID 175658480) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[2-methoxyethyl(methyl)amino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[2-methoxyethyl(methyl)amino]isoindole-1,3-dione
PubChem CID175658480
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[2-methoxyethyl(methyl)amino]isoindole-1,3-dione
SMILESCOCCN(C)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H19N3O5/c1-19(7-8-25-2)10-3-4-11-12(9-10)17(24)20(16(11)23)13-5-6-14(21)18-15(13)22/h3-4,9,13H,5-8H2,1-2H3,(H,18,21,22)
InChIKeyKGUMHYWWZCMOFV-UHFFFAOYSA-N
XLogP0.17
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-[2-methoxyethyl(methyl)amino]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 159256748
2-(2,6-dioxopiperidin-3-yl)-5-[methyl(piperidin-4-ylmethyl)amino]isoindole-1,3-dione;hydrochloride
CID 171705598
2-(2,6-dioxopiperidin-3-yl)-5-[methyl(pyridin-2-ylmethyl)amino]isoindole-1,3-dione
CID 175661564
5-[[(1R,2S)-2-(dimethylamino)cyclohexyl]-methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 150341091
2-(2,6-dioxopiperidin-3-yl)-5-[methyl-[2-(methylamino)cyclopentyl]amino]isoindole-1,3-dione
CID 151397660
5-[(3-acetylcyclobutyl)-methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170129715
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
5-(2-chloroethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 135147131
5-[[(1S,6S)-6-aminocyclohex-3-en-1-yl]-methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 162331189
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
2-(2,6-dioxopiperidin-3-yl)-5-[[(1R,2R)-2-(3-ethoxyazetidin-1-yl)cyclohexyl]-methylamino]isoindole-1,3-dione
CID 149179120
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-methoxyethyl(methyl)amino]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-methoxyethyl(methyl)amino]isoindole-1,3-dione (CID 175658480) is 2-(2,6-dioxopiperidin-3-yl)-5-[2-methoxyethyl(methyl)amino]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[2-methoxyethyl(methyl)amino]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[2-methoxyethyl(methyl)amino]isoindole-1,3-dione is COCCN(C)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[2-methoxyethyl(methyl)amino]isoindole-1,3-dione?
The InChIKey is KGUMHYWWZCMOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-19(7-8-25-2)10-3-4-11-12(9-10)17(24)20(16(11)23)13-5-6-14(21)18-15(13)22/h3-4,9,13H,5-8H2,1-2H3,(H,18,21,22).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[2-methoxyethyl(methyl)amino]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[2-methoxyethyl(methyl)amino]isoindole-1,3-dione has a molecular weight of 345.36 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[2-methoxyethyl(methyl)amino]isoindole-1,3-dione is sourced from PubChem (CID 175658480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).