2-(2,6-dioxopiperidin-3-yl)-4-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]isoindole-1,3-dione

C20H21N5O4 — CID 175660820

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]isoindole-1,3-dione
SMILESCc1nccn1CCN(C)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H21N5O4/c1-12-21-8-9-24(12)11-10-23(2)14-5-3-4-13-17(14)20(29)25(19(13)28)15-6-7-16(26)22-18(15)27/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,22,26,27)
InChIKeyDWBVWSFMKHBGMX-UHFFFAOYSA-N
MW395.42 g/mol
LogP0.73
Rot. Bonds5

About 2-(2,6-dioxopiperidin-3-yl)-4-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]isoindole-1,3-dione (PubChem CID 175660820) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]isoindole-1,3-dione
PubChem CID175660820
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]isoindole-1,3-dione
SMILESCc1nccn1CCN(C)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H21N5O4/c1-12-21-8-9-24(12)11-10-23(2)14-5-3-4-13-17(14)20(29)25(19(13)28)15-6-7-16(26)22-18(15)27/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,22,26,27)
InChIKeyDWBVWSFMKHBGMX-UHFFFAOYSA-N
XLogP0.73
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]propanoic acid
CID 171158371
1-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethyl]piperidine-4-carboxylic acid
CID 175660737
2-(2,6-dioxopiperidin-3-yl)-4-[methyl-[(3-methyloxetan-3-yl)methyl]amino]isoindole-1,3-dione
CID 175659786
2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]-N-methylacetamide
CID 71211499
2-(2,6-dioxopiperidin-3-yl)-4-[methyl(pyrrolidin-3-ylmethyl)amino]isoindole-1,3-dione
CID 171158422
6-tert-butyl-6-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-methylamino]ethyl]-2-azaspiro[3.3]heptane-2-carboxylic acid
CID 166666589
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
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)-4-ethoxyisoindole-1,3-dione;ethane
CID 166167636
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 2-(2,6-dioxopiperidin-3-yl)-4-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]isoindole-1,3-dione (CID 175660820) is 2-(2,6-dioxopiperidin-3-yl)-4-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]isoindole-1,3-dione is Cc1nccn1CCN(C)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]isoindole-1,3-dione?
The InChIKey is DWBVWSFMKHBGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-12-21-8-9-24(12)11-10-23(2)14-5-3-4-13-17(14)20(29)25(19(13)28)15-6-7-16(26)22-18(15)27/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,22,26,27).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]isoindole-1,3-dione has a molecular weight of 395.42 g/mol, XLogP of 0.73, 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)-4-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]isoindole-1,3-dione is sourced from PubChem (CID 175660820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).