1-[6-acetyl-7-(2-piperidin-1-ylethoxy)-1-benzofuran-4-yl]ethanone

C19H23NO4 — CID 3021610

IUPAC1-[6-acetyl-7-(2-piperidin-1-ylethoxy)-1-benzofuran-4-yl]ethanone
SMILESCC(=O)c1cc(C(C)=O)c2ccoc2c1OCCN1CCCCC1
InChIInChI=1S/C19H23NO4/c1-13(21)16-12-17(14(2)22)19(18-15(16)6-10-23-18)24-11-9-20-7-4-3-5-8-20/h6,10,12H,3-5,7-9,11H2,1-2H3
InChIKeyADFLEFUNENXJIF-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.70
Rot. Bonds6

About 1-[6-acetyl-7-(2-piperidin-1-ylethoxy)-1-benzofuran-4-yl]ethanone

1-[6-acetyl-7-(2-piperidin-1-ylethoxy)-1-benzofuran-4-yl]ethanone (PubChem CID 3021610) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[6-acetyl-7-(2-piperidin-1-ylethoxy)-1-benzofuran-4-yl]ethanone.

Molecular Properties

Compound Name1-[6-acetyl-7-(2-piperidin-1-ylethoxy)-1-benzofuran-4-yl]ethanone
PubChem CID3021610
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name1-[6-acetyl-7-(2-piperidin-1-ylethoxy)-1-benzofuran-4-yl]ethanone
SMILESCC(=O)c1cc(C(C)=O)c2ccoc2c1OCCN1CCCCC1
InChIInChI=1S/C19H23NO4/c1-13(21)16-12-17(14(2)22)19(18-15(16)6-10-23-18)24-11-9-20-7-4-3-5-8-20/h6,10,12H,3-5,7-9,11H2,1-2H3
InChIKeyADFLEFUNENXJIF-UHFFFAOYSA-N
XLogP3.70
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanone
CID 82971448
1-[6-[2-(azepan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea
CID 3050336
1-[6-[2-(azocan-1-yl)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]-3-methylurea
CID 3050337
N-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]cyclohexanecarboxamide
CID 3058966
1-[1-(2-pyrrolidin-1-ylethoxy)naphthalen-2-yl]ethanone
CID 43474266
1-[6-hydroxy-4-methoxy-7-(2-morpholin-4-ylethoxy)-1-benzofuran-5-yl]ethanone
CID 59272429
6-acetyl-4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one;hydrochloride
CID 53304985
1-[2-nitro-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanone
CID 104529862
1-[4,7-dimethoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 70388362
1-[2-[[4-methyl-7-(3-phenylpropoxy)-5-prop-1-en-2-yl-1-benzofuran-6-yl]oxy]ethyl]pyrrolidine
CID 89277936
1-[4-[2-(azepan-1-yl)ethoxy]phenyl]propan-2-one
CID 70526687
1-[4-ethoxy-7-methoxy-6-(2-piperidin-1-ylethoxy)-1-benzofuran-5-yl]-3-thiophen-3-ylpropan-2-one
CID 57208522

Frequently Asked Questions

What is the IUPAC name of 1-[6-acetyl-7-(2-piperidin-1-ylethoxy)-1-benzofuran-4-yl]ethanone?
The IUPAC name of 1-[6-acetyl-7-(2-piperidin-1-ylethoxy)-1-benzofuran-4-yl]ethanone (CID 3021610) is 1-[6-acetyl-7-(2-piperidin-1-ylethoxy)-1-benzofuran-4-yl]ethanone.
What is the SMILES notation for 1-[6-acetyl-7-(2-piperidin-1-ylethoxy)-1-benzofuran-4-yl]ethanone?
The canonical SMILES for 1-[6-acetyl-7-(2-piperidin-1-ylethoxy)-1-benzofuran-4-yl]ethanone is CC(=O)c1cc(C(C)=O)c2ccoc2c1OCCN1CCCCC1.
What is the InChIKey of 1-[6-acetyl-7-(2-piperidin-1-ylethoxy)-1-benzofuran-4-yl]ethanone?
The InChIKey is ADFLEFUNENXJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-13(21)16-12-17(14(2)22)19(18-15(16)6-10-23-18)24-11-9-20-7-4-3-5-8-20/h6,10,12H,3-5,7-9,11H2,1-2H3.
What are the key properties of 1-[6-acetyl-7-(2-piperidin-1-ylethoxy)-1-benzofuran-4-yl]ethanone?
1-[6-acetyl-7-(2-piperidin-1-ylethoxy)-1-benzofuran-4-yl]ethanone has a molecular weight of 329.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-acetyl-7-(2-piperidin-1-ylethoxy)-1-benzofuran-4-yl]ethanone is sourced from PubChem (CID 3021610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).