1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone

C14H15NO3 — CID 141096620

IUPAC1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc2occc2c1)N1CCC(O)CC1
InChIInChI=1S/C14H15NO3/c16-12-3-6-15(7-4-12)14(17)11-1-2-13-10(9-11)5-8-18-13/h1-2,5,8-9,12,16H,3-4,6-7H2
InChIKeyYXHBXZPXBAGTQL-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.03
Rot. Bonds1

About 1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone

1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 141096620) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
PubChem CID141096620
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc2occc2c1)N1CCC(O)CC1
InChIInChI=1S/C14H15NO3/c16-12-3-6-15(7-4-12)14(17)11-1-2-13-10(9-11)5-8-18-13/h1-2,5,8-9,12,16H,3-4,6-7H2
InChIKeyYXHBXZPXBAGTQL-UHFFFAOYSA-N
XLogP2.03
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-5-yl-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 97134600
1-benzofuran-5-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749353
4-[4-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]sulfonylphenyl]benzonitrile
CID 24730980
1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
CID 62112159
1-benzofuran-5-yl-[4-(4-thiophen-3-ylphenyl)sulfonylpiperidin-1-yl]methanone
CID 24730850
(2-bromo-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 103752322
1-benzofuran-5-carbonyl iodide
CID 143843606
(3-amino-4-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 16789345
3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone
CID 82485167
N-[4-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 171683445
1-benzofuran-5-yl-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 72861707
[2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43476814

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of 1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone (CID 141096620) is 1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for 1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for 1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone is O=C(c1ccc2occc2c1)N1CCC(O)CC1.
What is the InChIKey of 1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is YXHBXZPXBAGTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-12-3-6-15(7-4-12)14(17)11-1-2-13-10(9-11)5-8-18-13/h1-2,5,8-9,12,16H,3-4,6-7H2.
What are the key properties of 1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone?
1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 245.28 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 141096620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).