2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methylbenzamide

C17H24N2O3 — CID 46681061

IUPAC2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(OCC(=O)N2C(C)CCCC2C)c1
InChIInChI=1S/C17H24N2O3/c1-11-7-8-14(17(18)21)15(9-11)22-10-16(20)19-12(2)5-4-6-13(19)3/h7-9,12-13H,4-6,10H2,1-3H3,(H2,18,21)
InChIKeyUOHBOKBJGYSCDN-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.26
Rot. Bonds4

About 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methylbenzamide

2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methylbenzamide (PubChem CID 46681061) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methylbenzamide.

Molecular Properties

Compound Name2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methylbenzamide
PubChem CID46681061
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)c(OCC(=O)N2C(C)CCCC2C)c1
InChIInChI=1S/C17H24N2O3/c1-11-7-8-14(17(18)21)15(9-11)22-10-16(20)19-12(2)5-4-6-13(19)3/h7-9,12-13H,4-6,10H2,1-3H3,(H2,18,21)
InChIKeyUOHBOKBJGYSCDN-UHFFFAOYSA-N
XLogP2.26
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(5-methyl-2-nitrophenoxy)ethanone
CID 31885314
1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone
CID 110755902
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 1293391
4-chloro-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 94813801
2-(2-aminoethoxy)-4-methylbenzamide
CID 62349382
2-(2,4-difluorophenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 42891275
2-[2-(aminomethyl)phenoxy]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 30080646
2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 95316685
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(4-methyl-2-propoxyphenyl)benzamide
CID 55901974
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 769399
2-(2-hydroxyethoxy)-4-methylbenzamide
CID 67742497
2-(2-bromo-4-tert-butylphenoxy)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 2203457

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methylbenzamide?
The IUPAC name of 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methylbenzamide (CID 46681061) is 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methylbenzamide.
What is the SMILES notation for 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methylbenzamide?
The canonical SMILES for 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methylbenzamide is Cc1ccc(C(N)=O)c(OCC(=O)N2C(C)CCCC2C)c1.
What is the InChIKey of 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methylbenzamide?
The InChIKey is UOHBOKBJGYSCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11-7-8-14(17(18)21)15(9-11)22-10-16(20)19-12(2)5-4-6-13(19)3/h7-9,12-13H,4-6,10H2,1-3H3,(H2,18,21).
What are the key properties of 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methylbenzamide?
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methylbenzamide has a molecular weight of 304.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methylbenzamide is sourced from PubChem (CID 46681061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).