3-[6-(aminomethyl)-1-benzofuran-3-yl]piperidine-2,6-dione;hydrochloride

C14H15ClN2O3 — CID 170904716

IUPAC3-[6-(aminomethyl)-1-benzofuran-3-yl]piperidine-2,6-dione;hydrochloride
SMILESCl.NCc1ccc2c(C3CCC(=O)NC3=O)coc2c1
InChIInChI=1S/C14H14N2O3.ClH/c15-6-8-1-2-9-11(7-19-12(9)5-8)10-3-4-13(17)16-14(10)18;/h1-2,5,7,10H,3-4,6,15H2,(H,16,17,18);1H
InChIKeyRZMUBRYQHJYQEO-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.83
Rot. Bonds2

About 3-[6-(aminomethyl)-1-benzofuran-3-yl]piperidine-2,6-dione;hydrochloride

3-[6-(aminomethyl)-1-benzofuran-3-yl]piperidine-2,6-dione;hydrochloride (PubChem CID 170904716) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-[6-(aminomethyl)-1-benzofuran-3-yl]piperidine-2,6-dione;hydrochloride.

Molecular Properties

Compound Name3-[6-(aminomethyl)-1-benzofuran-3-yl]piperidine-2,6-dione;hydrochloride
PubChem CID170904716
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name3-[6-(aminomethyl)-1-benzofuran-3-yl]piperidine-2,6-dione;hydrochloride
SMILESCl.NCc1ccc2c(C3CCC(=O)NC3=O)coc2c1
InChIInChI=1S/C14H14N2O3.ClH/c15-6-8-1-2-9-11(7-19-12(9)5-8)10-3-4-13(17)16-14(10)18;/h1-2,5,7,10H,3-4,6,15H2,(H,16,17,18);1H
InChIKeyRZMUBRYQHJYQEO-UHFFFAOYSA-N
XLogP1.83
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[6-(aminomethyl)-1,2-benzoxazol-3-yl]piperidine-2,6-dione;hydrochloride
CID 170903448
3-(6-ethynyl-1-benzofuran-3-yl)piperidine-2,6-dione
CID 176508886
3-[7-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
CID 147536967
3-benzo[g][1]benzofuran-3-ylpiperidine-2,6-dione
CID 170181374
(3R)-3-furo[3,2-g]quinolin-3-ylpiperidine-2,6-dione
CID 158104093
(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-(3,4-dihydro-2H-furo[2,3-g][1,4]benzoxazin-8-yl)piperidine-2,6-dione
CID 157308807
3-[6-[3-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-1-benzofuran-3-yl]piperidine-2,6-dione
CID 176909091
(3S)-3-[6-[2-(dimethylamino)ethoxy]benzo[f][1]benzofuran-3-yl]piperidine-2,6-dione
CID 159163611
3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione
CID 138460739
3-(7-ethenylbenzo[e][1]benzofuran-1-yl)piperidine-2,6-dione
CID 166645438

Frequently Asked Questions

What is the IUPAC name of 3-[6-(aminomethyl)-1-benzofuran-3-yl]piperidine-2,6-dione;hydrochloride?
The IUPAC name of 3-[6-(aminomethyl)-1-benzofuran-3-yl]piperidine-2,6-dione;hydrochloride (CID 170904716) is 3-[6-(aminomethyl)-1-benzofuran-3-yl]piperidine-2,6-dione;hydrochloride.
What is the SMILES notation for 3-[6-(aminomethyl)-1-benzofuran-3-yl]piperidine-2,6-dione;hydrochloride?
The canonical SMILES for 3-[6-(aminomethyl)-1-benzofuran-3-yl]piperidine-2,6-dione;hydrochloride is Cl.NCc1ccc2c(C3CCC(=O)NC3=O)coc2c1.
What is the InChIKey of 3-[6-(aminomethyl)-1-benzofuran-3-yl]piperidine-2,6-dione;hydrochloride?
The InChIKey is RZMUBRYQHJYQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3.ClH/c15-6-8-1-2-9-11(7-19-12(9)5-8)10-3-4-13(17)16-14(10)18;/h1-2,5,7,10H,3-4,6,15H2,(H,16,17,18);1H.
What are the key properties of 3-[6-(aminomethyl)-1-benzofuran-3-yl]piperidine-2,6-dione;hydrochloride?
3-[6-(aminomethyl)-1-benzofuran-3-yl]piperidine-2,6-dione;hydrochloride has a molecular weight of 294.74 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(aminomethyl)-1-benzofuran-3-yl]piperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 170904716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).