1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone

C17H21NO3 — CID 106587755

IUPAC1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
SMILESCOCC1CCCN(CC(=O)c2coc3ccccc23)C1
InChIInChI=1S/C17H21NO3/c1-20-11-13-5-4-8-18(9-13)10-16(19)15-12-21-17-7-3-2-6-14(15)17/h2-3,6-7,12-13H,4-5,8-11H2,1H3
InChIKeyCCXRNCKSYPTYHO-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.97
Rot. Bonds5

About 1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone

1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone (PubChem CID 106587755) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
PubChem CID106587755
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
SMILESCOCC1CCCN(CC(=O)c2coc3ccccc23)C1
InChIInChI=1S/C17H21NO3/c1-20-11-13-5-4-8-18(9-13)10-16(19)15-12-21-17-7-3-2-6-14(15)17/h2-3,6-7,12-13H,4-5,8-11H2,1H3
InChIKeyCCXRNCKSYPTYHO-UHFFFAOYSA-N
XLogP2.97
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64596560
1-(1-benzofuran-3-yl)-2-(4-methylazepan-1-yl)ethanone
CID 63623178
2-[3-(methoxymethyl)piperidin-1-yl]-1-(2,4,5-trimethylphenyl)ethanone
CID 106587762
1-(2,6-difluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587713
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1-benzofuran-3-yl)ethanone
CID 65320067
1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone
CID 62052483
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 106587715
2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone
CID 43797125
[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1-benzofuran-3-yl]methanamine
CID 106589409
1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807
1-(1-benzofuran-3-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 54884312
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione
CID 62025761

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone (CID 106587755) is 1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone is COCC1CCCN(CC(=O)c2coc3ccccc23)C1.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone?
The InChIKey is CCXRNCKSYPTYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-20-11-13-5-4-8-18(9-13)10-16(19)15-12-21-17-7-3-2-6-14(15)17/h2-3,6-7,12-13H,4-5,8-11H2,1H3.
What are the key properties of 1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone?
1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone has a molecular weight of 287.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 106587755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).