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

C15H14N2O4 — CID 142650795

IUPAC4-methyl-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCc1cccc2c1C(=O)N(C1CCC(=O)N(C)C1=O)C2=O
InChIInChI=1S/C15H14N2O4/c1-8-4-3-5-9-12(8)15(21)17(13(9)19)10-6-7-11(18)16(2)14(10)20/h3-5,10H,6-7H2,1-2H3
InChIKeyHVBHUEKRVNYQRY-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.74
Rot. Bonds1

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

4-methyl-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 142650795) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-methyl-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-methyl-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID142650795
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-methyl-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCc1cccc2c1C(=O)N(C1CCC(=O)N(C)C1=O)C2=O
InChIInChI=1S/C15H14N2O4/c1-8-4-3-5-9-12(8)15(21)17(13(9)19)10-6-7-11(18)16(2)14(10)20/h3-5,10H,6-7H2,1-2H3
InChIKeyHVBHUEKRVNYQRY-UHFFFAOYSA-N
XLogP0.74
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione
CID 170640142
2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-(propan-2-ylamino)isoindole-1,3-dione
CID 162432126
4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 145202026
2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-sulfanylisoindole-1,3-dione
CID 174332878
4-[2-[2-[2-(4-aminopiperidin-1-yl)ethoxy]ethoxy]ethylamino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 156865742
3-[2-[2-[2-[2-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 146161296
4-methyl-2-(oxolan-2-yl)isoindole-1,3-dione
CID 154376966
2-[1-(2-ethoxyethyl)-2,6-dioxopiperidin-3-yl]-4-fluoroisoindole-1,3-dione
CID 139529054
2-(1-methyl-2,6-dioxopiperidin-3-yl)-5-(methylideneamino)isoindole-1,3-dione
CID 139469799
4-(4-methyl-3-methylidene-1-oxoisoindol-2-yl)cyclohexane-1,3-dione
CID 159073499
2-[3-(4-amino-1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-1-yl]ethyl propanoate
CID 129190490
2-[4-amino-3-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxobutoxy]ethyl methanesulfonate
CID 175467968

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-methyl-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 142650795) is 4-methyl-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-methyl-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-methyl-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is Cc1cccc2c1C(=O)N(C1CCC(=O)N(C)C1=O)C2=O.
What is the InChIKey of 4-methyl-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is HVBHUEKRVNYQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-8-4-3-5-9-12(8)15(21)17(13(9)19)10-6-7-11(18)16(2)14(10)20/h3-5,10H,6-7H2,1-2H3.
What are the key properties of 4-methyl-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-methyl-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 286.29 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 142650795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).