5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C15H15N3O4 — CID 159256748

IUPAC5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCN(C)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H15N3O4/c1-17(2)8-3-4-9-10(7-8)15(22)18(14(9)21)11-5-6-12(19)16-13(11)20/h3-4,7,11H,5-6H2,1-2H3,(H,16,19,20)
InChIKeyPJDYHYUEBYWAOR-UHFFFAOYSA-N
MW301.30 g/mol
LogP0.15
Rot. Bonds2

About 5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 159256748) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID159256748
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCN(C)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H15N3O4/c1-17(2)8-3-4-9-10(7-8)15(22)18(14(9)21)11-5-6-12(19)16-13(11)20/h3-4,7,11H,5-6H2,1-2H3,(H,16,19,20)
InChIKeyPJDYHYUEBYWAOR-UHFFFAOYSA-N
XLogP0.15
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-[2-methoxyethyl(methyl)amino]isoindole-1,3-dione
CID 175658480
5-[(3-acetylcyclobutyl)-methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170129715
2-(2,6-dioxopiperidin-3-yl)-5-[methyl-[2-(methylamino)cyclopentyl]amino]isoindole-1,3-dione
CID 151397660
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
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-[methyl(piperidin-4-ylmethyl)amino]isoindole-1,3-dione;hydrochloride
CID 171705598
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
2-(2,6-dioxopiperidin-3-yl)-5-[methyl(pyridin-2-ylmethyl)amino]isoindole-1,3-dione
CID 175661564
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

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 159256748) is 5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CN(C)c1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is PJDYHYUEBYWAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-17(2)8-3-4-9-10(7-8)15(22)18(14(9)21)11-5-6-12(19)16-13(11)20/h3-4,7,11H,5-6H2,1-2H3,(H,16,19,20).
What are the key properties of 5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 301.30 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 159256748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).