3-(5-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C15H16N2O4 — CID 139483267

IUPAC3-(5-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCOc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2C
InChIInChI=1S/C15H16N2O4/c1-8-10-4-3-9(21-2)7-11(10)15(20)17(8)12-5-6-13(18)16-14(12)19/h3-4,7-8,12H,5-6H2,1-2H3,(H,16,18,19)
InChIKeySSKZIBRVFJCGEH-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.02
Rot. Bonds2

About 3-(5-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

3-(5-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 139483267) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-(5-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID139483267
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-(5-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCOc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2C
InChIInChI=1S/C15H16N2O4/c1-8-10-4-3-9(21-2)7-11(10)15(20)17(8)12-5-6-13(18)16-14(12)19/h3-4,7-8,12H,5-6H2,1-2H3,(H,16,18,19)
InChIKeySSKZIBRVFJCGEH-UHFFFAOYSA-N
XLogP1.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(5-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione with MolForge

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Related Compounds

3-(1-methyl-3-oxo-6-propan-2-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163222672
3-(4-iodo-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156528333
3-(7-fluoro-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 176695414
tert-butyl 3-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-5-yl]oxy]azetidine-1-carboxylate
CID 154670537
2-[[2-(2,6-dioxopiperidin-3-yl)-3-methoxy-1-oxo-3H-isoindol-5-yl]oxy]acetaldehyde
CID 142596904
3-(5-methoxy-3H-1,2-benzothiazol-2-yl)piperidine-2,6-dione
CID 146350908
[1-tert-butyl-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] hexaneperoxoate
CID 175565572
3-[6-(4-fluoro-1,5-dimethyl-1,3-dihydroisoindole-2-carbonyl)-1-methyl-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 178033027
4-(2,5-dimethoxyanilino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 58827357
3-[1-methyl-3-oxo-6-[4-(piperidin-4-ylmethyl)piperazin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155673280
3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 167418527
3-[2-[4-(dimethoxymethyl)piperidin-1-yl]-7-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]piperidine-2,6-dione
CID 176694942

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 139483267) is 3-(5-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is COc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2C.
What is the InChIKey of 3-(5-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is SSKZIBRVFJCGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-8-10-4-3-9(21-2)7-11(10)15(20)17(8)12-5-6-13(18)16-14(12)19/h3-4,7-8,12H,5-6H2,1-2H3,(H,16,18,19).
What are the key properties of 3-(5-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(5-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 288.30 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 139483267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).