2-(4-ethoxyphenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone

C20H24N2O3 — CID 16668135

IUPAC2-(4-ethoxyphenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCC(O)(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H24N2O3/c1-2-25-17-8-6-16(7-9-17)15-19(23)22-13-10-20(24,11-14-22)18-5-3-4-12-21-18/h3-9,12,24H,2,10-11,13-15H2,1H3
InChIKeyZFLSSFNPUAURED-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.53
Rot. Bonds5

About 2-(4-ethoxyphenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone

2-(4-ethoxyphenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone (PubChem CID 16668135) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
PubChem CID16668135
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-(4-ethoxyphenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCC(O)(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H24N2O3/c1-2-25-17-8-6-16(7-9-17)15-19(23)22-13-10-20(24,11-14-22)18-5-3-4-12-21-18/h3-9,12,24H,2,10-11,13-15H2,1H3
InChIKeyZFLSSFNPUAURED-UHFFFAOYSA-N
XLogP2.53
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 52892178
2-(4-ethoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17249493
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
2-(4-ethoxyphenyl)-1-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylethanone
CID 90565660
1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 89459236
1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 82365897
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-ethoxyphenyl)ethanone
CID 110743455
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
2-(2,4-dichlorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
CID 16674967
1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 113077436
1-[4-[2-(4-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 108547166

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone (CID 16668135) is 2-(4-ethoxyphenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone is CCOc1ccc(CC(=O)N2CCC(O)(c3ccccn3)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone?
The InChIKey is ZFLSSFNPUAURED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-25-17-8-6-16(7-9-17)15-19(23)22-13-10-20(24,11-14-22)18-5-3-4-12-21-18/h3-9,12,24H,2,10-11,13-15H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone?
2-(4-ethoxyphenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone has a molecular weight of 340.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 16668135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).