2-(2,4-dimethoxyphenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone

C17H25NO3 — CID 110767883

IUPAC2-(2,4-dimethoxyphenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2C(C)CCCC2C)c(OC)c1
InChIInChI=1S/C17H25NO3/c1-12-6-5-7-13(2)18(12)17(19)10-14-8-9-15(20-3)11-16(14)21-4/h8-9,11-13H,5-7,10H2,1-4H3
InChIKeyOVJJTEYBCQJTMI-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.04
Rot. Bonds4

About 2-(2,4-dimethoxyphenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone

2-(2,4-dimethoxyphenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone (PubChem CID 110767883) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
PubChem CID110767883
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(2,4-dimethoxyphenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2C(C)CCCC2C)c(OC)c1
InChIInChI=1S/C17H25NO3/c1-12-6-5-7-13(2)18(12)17(19)10-14-8-9-15(20-3)11-16(14)21-4/h8-9,11-13H,5-7,10H2,1-4H3
InChIKeyOVJJTEYBCQJTMI-UHFFFAOYSA-N
XLogP3.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethoxyphenyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 79028156
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(2,4-dimethoxyphenyl)ethanone
CID 110806584
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 43013378
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103715025
2-(2,4-dimethoxyphenyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 39948329
(2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 2852240
2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 51072972
N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108511925
2-(2,4-dimethoxyphenyl)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]ethanone
CID 47018500
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 2531086
2-(2,4-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18104397

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone (CID 110767883) is 2-(2,4-dimethoxyphenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone is COc1ccc(CC(=O)N2C(C)CCCC2C)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The InChIKey is OVJJTEYBCQJTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-6-5-7-13(2)18(12)17(19)10-14-8-9-15(20-3)11-16(14)21-4/h8-9,11-13H,5-7,10H2,1-4H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
2-(2,4-dimethoxyphenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone has a molecular weight of 291.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110767883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).