3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione

C19H17NO4 — CID 147536967

IUPAC3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
SMILESCOCc1ccc2c(ccc3occ(C4CCC(=O)NC4=O)c32)c1
InChIInChI=1S/C19H17NO4/c1-23-9-11-2-4-13-12(8-11)3-6-16-18(13)15(10-24-16)14-5-7-17(21)20-19(14)22/h2-4,6,8,10,14H,5,7,9H2,1H3,(H,20,21,22)
InChIKeyFODMVWJGVHQBNJ-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.25
Rot. Bonds3

About 3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione

3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione (PubChem CID 147536967) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
PubChem CID147536967
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
SMILESCOCc1ccc2c(ccc3occ(C4CCC(=O)NC4=O)c32)c1
InChIInChI=1S/C19H17NO4/c1-23-9-11-2-4-13-12(8-11)3-6-16-18(13)15(10-24-16)14-5-7-17(21)20-19(14)22/h2-4,6,8,10,14H,5,7,9H2,1H3,(H,20,21,22)
InChIKeyFODMVWJGVHQBNJ-UHFFFAOYSA-N
XLogP3.25
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.25
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

(3S)-3-[7-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 158099478
3-(7-bromobenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
CID 172538516
3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
CID 166645438
tert-butyl N-[1-[(3R)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-yl]carbamate
CID 158099480
(3R)-3-[7-[3-(4-methylpiperazin-1-yl)propoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 160897263
3-[7-[2-[methyl(piperidin-4-yl)amino]ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 147267812
(3R)-3-benzo[e][1]benzofuran-1-yl-6-methylidenepiperidin-2-one
CID 161164268
N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1]benzofuran-7-yl]-2-piperazin-1-ylacetamide
CID 177117602
3-[6-(aminomethyl)-1-benzofuran-3-yl]piperidine-2,6-dione;hydrochloride
CID 170904716
tert-butyl 4-[2-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1]benzofuran-7-yl]oxyethylamino]piperidine-1-carboxylate
CID 160599860
(3S)-3-[7-[(2-methoxyethylamino)methyl]benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione
CID 167001174
(3R)-3-[7-[(dimethylamino)methyl]benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione
CID 167001494

Frequently Asked Questions

What is the IUPAC name of 3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione (CID 147536967) is 3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione is COCc1ccc2c(ccc3occ(C4CCC(=O)NC4=O)c32)c1.
What is the InChIKey of 3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione?
The InChIKey is FODMVWJGVHQBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-23-9-11-2-4-13-12(8-11)3-6-16-18(13)15(10-24-16)14-5-7-17(21)20-19(14)22/h2-4,6,8,10,14H,5,7,9H2,1H3,(H,20,21,22).
What are the key properties of 3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione?
3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione has a molecular weight of 323.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 147536967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).