1-(1-benzofuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone

C17H21NO3 — CID 102960519

IUPAC1-(1-benzofuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone
SMILESCOC1CN(CC(=O)c2cc3ccccc3o2)CCC1C
InChIInChI=1S/C17H21NO3/c1-12-7-8-18(11-17(12)20-2)10-14(19)16-9-13-5-3-4-6-15(13)21-16/h3-6,9,12,17H,7-8,10-11H2,1-2H3
InChIKeyHIILPQIOSVBBHY-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.97
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone

1-(1-benzofuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone (PubChem CID 102960519) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone
PubChem CID102960519
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name1-(1-benzofuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone
SMILESCOC1CN(CC(=O)c2cc3ccccc3o2)CCC1C
InChIInChI=1S/C17H21NO3/c1-12-7-8-18(11-17(12)20-2)10-14(19)16-9-13-5-3-4-6-15(13)21-16/h3-6,9,12,17H,7-8,10-11H2,1-2H3
InChIKeyHIILPQIOSVBBHY-UHFFFAOYSA-N
XLogP2.97
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62024611
1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 43797305
1-(1-benzofuran-2-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102782504
1-(1-benzofuran-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 62974685
1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone
CID 61445139
1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 62206433
1-(2,5-difluorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102960397
1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 14509719
2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 102960399
1-(2-methoxy-4-methylphenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102960506
(5-amino-1-benzofuran-2-yl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954915
1-(1-benzofuran-2-yl)-2-(1,4-oxazepan-4-yl)ethanone
CID 62973085

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone (CID 102960519) is 1-(1-benzofuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone is COC1CN(CC(=O)c2cc3ccccc3o2)CCC1C.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone?
The InChIKey is HIILPQIOSVBBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12-7-8-18(11-17(12)20-2)10-14(19)16-9-13-5-3-4-6-15(13)21-16/h3-6,9,12,17H,7-8,10-11H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone?
1-(1-benzofuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone has a molecular weight of 287.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 102960519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).