2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone

C22H24N2O3 — CID 119069770

IUPAC2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
SMILESCc1cc(C)c2c(CC(=O)N3CCC(O)(c4cccnc4)CC3)coc2c1
InChIInChI=1S/C22H24N2O3/c1-15-10-16(2)21-17(14-27-19(21)11-15)12-20(25)24-8-5-22(26,6-9-24)18-4-3-7-23-13-18/h3-4,7,10-11,13-14,26H,5-6,8-9,12H2,1-2H3
InChIKeyKWVAEYVTKRUYMF-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.50
Rot. Bonds3

About 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone

2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone (PubChem CID 119069770) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
PubChem CID119069770
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
SMILESCc1cc(C)c2c(CC(=O)N3CCC(O)(c4cccnc4)CC3)coc2c1
InChIInChI=1S/C22H24N2O3/c1-15-10-16(2)21-17(14-27-19(21)11-15)12-20(25)24-8-5-22(26,6-9-24)18-4-3-7-23-13-18/h3-4,7,10-11,13-14,26H,5-6,8-9,12H2,1-2H3
InChIKeyKWVAEYVTKRUYMF-UHFFFAOYSA-N
XLogP3.50
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone with MolForge

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Related Compounds

5-[2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-oxoethoxy]-3,4,7-trimethylchromen-2-one
CID 171386567
1-(4-benzylpiperazin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone
CID 18859351
ethyl 3-hydroxy-3-pyridin-3-ylpyrrolidine-1-carboxylate
CID 86101343
7-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175645876
4-[4-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 137342765
1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone
CID 126441295
2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 91761622
1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 126468362
1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
cyclobutyl-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 95833425
(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone
CID 126432712
2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18871909

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone (CID 119069770) is 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone is Cc1cc(C)c2c(CC(=O)N3CCC(O)(c4cccnc4)CC3)coc2c1.
What is the InChIKey of 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone?
The InChIKey is KWVAEYVTKRUYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-10-16(2)21-17(14-27-19(21)11-15)12-20(25)24-8-5-22(26,6-9-24)18-4-3-7-23-13-18/h3-4,7,10-11,13-14,26H,5-6,8-9,12H2,1-2H3.
What are the key properties of 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone?
2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone has a molecular weight of 364.45 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 119069770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).