2-(1-benzofuran-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone

C15H17NO3 — CID 115276986

IUPAC2-(1-benzofuran-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(Cc1coc2ccccc12)N1CCCC(O)C1
InChIInChI=1S/C15H17NO3/c17-12-4-3-7-16(9-12)15(18)8-11-10-19-14-6-2-1-5-13(11)14/h1-2,5-6,10,12,17H,3-4,7-9H2
InChIKeyGNPYETCCIYRRPD-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.96
Rot. Bonds2

About 2-(1-benzofuran-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone

2-(1-benzofuran-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone (PubChem CID 115276986) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
PubChem CID115276986
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name2-(1-benzofuran-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(Cc1coc2ccccc12)N1CCCC(O)C1
InChIInChI=1S/C15H17NO3/c17-12-4-3-7-16(9-12)15(18)8-11-10-19-14-6-2-1-5-13(11)14/h1-2,5-6,10,12,17H,3-4,7-9H2
InChIKeyGNPYETCCIYRRPD-UHFFFAOYSA-N
XLogP1.96
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-benzoxazol-3-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107224813
4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carbaldehyde
CID 110850236
ethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate
CID 110854089
1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 43391540
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345
1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 93040634
2-(1-benzofuran-3-yl)-N-cyclopentylacetamide
CID 110848759
1-(3-aminopiperidin-1-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone
CID 119379053
N-[2-[1-[2-(1-benzofuran-3-yl)acetyl]piperidin-4-yl]-2-methylpropyl]-2-chloroacetamide
CID 167919805
2-(3-aminophenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 62499989
3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93032761
2-(1,2-benzoxazol-3-yl)-1-(3-bromopiperidin-1-yl)ethanone
CID 80659996

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(1-benzofuran-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone (CID 115276986) is 2-(1-benzofuran-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-benzofuran-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1-benzofuran-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone is O=C(Cc1coc2ccccc12)N1CCCC(O)C1.
What is the InChIKey of 2-(1-benzofuran-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone?
The InChIKey is GNPYETCCIYRRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-12-4-3-7-16(9-12)15(18)8-11-10-19-14-6-2-1-5-13(11)14/h1-2,5-6,10,12,17H,3-4,7-9H2.
What are the key properties of 2-(1-benzofuran-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone?
2-(1-benzofuran-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone has a molecular weight of 259.30 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 115276986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).