3-benzo[g][1]benzofuran-3-ylpiperidine-2,6-dione

C17H13NO3 — CID 170181374

IUPAC3-benzo[g][1]benzofuran-3-ylpiperidine-2,6-dione
SMILESO=C1CCC(c2coc3c2ccc2ccccc23)C(=O)N1
InChIInChI=1S/C17H13NO3/c19-15-8-7-13(17(20)18-15)14-9-21-16-11-4-2-1-3-10(11)5-6-12(14)16/h1-6,9,13H,7-8H2,(H,18,19,20)
InChIKeyJQNPYVCWQNRZKK-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.11
Rot. Bonds1

About 3-benzo[g][1]benzofuran-3-ylpiperidine-2,6-dione

3-benzo[g][1]benzofuran-3-ylpiperidine-2,6-dione (PubChem CID 170181374) has the molecular formula C17H13NO3 and a molecular weight of 279.29 g/mol. Its IUPAC name is 3-benzo[g][1]benzofuran-3-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-benzo[g][1]benzofuran-3-ylpiperidine-2,6-dione
PubChem CID170181374
Molecular FormulaC17H13NO3
Molecular Weight279.29 g/mol
Exact Mass279.09
IUPAC Name3-benzo[g][1]benzofuran-3-ylpiperidine-2,6-dione
SMILESO=C1CCC(c2coc3c2ccc2ccccc23)C(=O)N1
InChIInChI=1S/C17H13NO3/c19-15-8-7-13(17(20)18-15)14-9-21-16-11-4-2-1-3-10(11)5-6-12(14)16/h1-6,9,13H,7-8H2,(H,18,19,20)
InChIKeyJQNPYVCWQNRZKK-UHFFFAOYSA-N
XLogP3.11
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one
CID 161164268
3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
CID 172538516
(3R)-3-furo[3,2-g]quinolin-3-ylpiperidine-2,6-dione
CID 158104093
3-[6-(aminomethyl)-1-benzofuran-3-yl]piperidine-2,6-dione;hydrochloride
CID 170904716
3-(8-methyl-2-oxochromen-4-yl)piperidine-2,6-dione
CID 167071398
3-(6-ethynyl-1-benzofuran-3-yl)piperidine-2,6-dione
CID 176508886
3-(2-hydroxyphenyl)piperidine-2,6-dione
CID 171127243
3-(5-ethynyl-7-fluoro-1-benzofuran-3-yl)piperidine-2,6-dione
CID 176508906
3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 147536967
3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
CID 166645438
(3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
CID 159163611
(3S)-3-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
CID 161047791

Frequently Asked Questions

What is the IUPAC name of 3-benzo[g][1]benzofuran-3-ylpiperidine-2,6-dione?
The IUPAC name of 3-benzo[g][1]benzofuran-3-ylpiperidine-2,6-dione (CID 170181374) is 3-benzo[g][1]benzofuran-3-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-benzo[g][1]benzofuran-3-ylpiperidine-2,6-dione?
The canonical SMILES for 3-benzo[g][1]benzofuran-3-ylpiperidine-2,6-dione is O=C1CCC(c2coc3c2ccc2ccccc23)C(=O)N1.
What is the InChIKey of 3-benzo[g][1]benzofuran-3-ylpiperidine-2,6-dione?
The InChIKey is JQNPYVCWQNRZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-15-8-7-13(17(20)18-15)14-9-21-16-11-4-2-1-3-10(11)5-6-12(14)16/h1-6,9,13H,7-8H2,(H,18,19,20).
What are the key properties of 3-benzo[g][1]benzofuran-3-ylpiperidine-2,6-dione?
3-benzo[g][1]benzofuran-3-ylpiperidine-2,6-dione has a molecular weight of 279.29 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzo[g][1]benzofuran-3-ylpiperidine-2,6-dione is sourced from PubChem (CID 170181374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).