3-(7-methoxy-3-oxo-1H-isoindol-2-yl)-3-methylpiperidine-2,6-dione

C15H16N2O4 — CID 166507159

IUPAC3-(7-methoxy-3-oxo-1H-isoindol-2-yl)-3-methylpiperidine-2,6-dione
SMILESCOc1cccc2c1CN(C1(C)CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H16N2O4/c1-15(7-6-12(18)16-14(15)20)17-8-10-9(13(17)19)4-3-5-11(10)21-2/h3-5H,6-8H2,1-2H3,(H,16,18,20)
InChIKeyOOXFFJWGFVTQHS-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.85
Rot. Bonds2

About 3-(7-methoxy-3-oxo-1H-isoindol-2-yl)-3-methylpiperidine-2,6-dione

3-(7-methoxy-3-oxo-1H-isoindol-2-yl)-3-methylpiperidine-2,6-dione (PubChem CID 166507159) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-(7-methoxy-3-oxo-1H-isoindol-2-yl)-3-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-methoxy-3-oxo-1H-isoindol-2-yl)-3-methylpiperidine-2,6-dione
PubChem CID166507159
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-(7-methoxy-3-oxo-1H-isoindol-2-yl)-3-methylpiperidine-2,6-dione
SMILESCOc1cccc2c1CN(C1(C)CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H16N2O4/c1-15(7-6-12(18)16-14(15)20)17-8-10-9(13(17)19)4-3-5-11(10)21-2/h3-5H,6-8H2,1-2H3,(H,16,18,20)
InChIKeyOOXFFJWGFVTQHS-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163268043
3-methyl-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione
CID 164919881
(3S)-3-[7-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-3-oxo-1H-isoindol-2-yl]-3-methylpiperidine-2,6-dione
CID 162769888
2-[4-[[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]-2-morpholin-4-ylacetonitrile
CID 163858471
4-(2-chlorophenyl)-1-[3-[[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxy]propyl]piperidine-4-carbonitrile
CID 162769854
1-[3-[[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxy]propyl]-4-[2-(trifluoromethoxy)phenyl]piperidine-4-carbonitrile
CID 146479975
ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163267686
4-(2,4-dimethoxyanilino)-2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 58827353
3-amino-3-[7-[[4-[[2-aminoethyl(ethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 123178735
3-(7-amino-1-hydroxy-1-methyl-3-oxoisoindol-2-yl)-3-methylpiperidine-2,6-dione
CID 123881098
3-(7-amino-3-oxo-1H-isoindol-2-yl)-5-hydroxy-3-methylpiperidine-2,6-dione
CID 22241185
2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-4-nitroisoindole-1,3-dione
CID 10805414

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-3-oxo-1H-isoindol-2-yl)-3-methylpiperidine-2,6-dione?
The IUPAC name of 3-(7-methoxy-3-oxo-1H-isoindol-2-yl)-3-methylpiperidine-2,6-dione (CID 166507159) is 3-(7-methoxy-3-oxo-1H-isoindol-2-yl)-3-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-(7-methoxy-3-oxo-1H-isoindol-2-yl)-3-methylpiperidine-2,6-dione?
The canonical SMILES for 3-(7-methoxy-3-oxo-1H-isoindol-2-yl)-3-methylpiperidine-2,6-dione is COc1cccc2c1CN(C1(C)CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-(7-methoxy-3-oxo-1H-isoindol-2-yl)-3-methylpiperidine-2,6-dione?
The InChIKey is OOXFFJWGFVTQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-15(7-6-12(18)16-14(15)20)17-8-10-9(13(17)19)4-3-5-11(10)21-2/h3-5H,6-8H2,1-2H3,(H,16,18,20).
What are the key properties of 3-(7-methoxy-3-oxo-1H-isoindol-2-yl)-3-methylpiperidine-2,6-dione?
3-(7-methoxy-3-oxo-1H-isoindol-2-yl)-3-methylpiperidine-2,6-dione has a molecular weight of 288.30 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-3-oxo-1H-isoindol-2-yl)-3-methylpiperidine-2,6-dione is sourced from PubChem (CID 166507159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).