[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate

C18H22N2O4 — CID 3681202

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
SMILESCC1CCCC(C)N1C(=O)COC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C18H22N2O4/c1-13-4-3-5-14(2)20(13)17(21)11-24-18(22)12-23-16-8-6-15(10-19)7-9-16/h6-9,13-14H,3-5,11-12H2,1-2H3
InChIKeyFKDOOFNXIJSGCS-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.27
Rot. Bonds5

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate (PubChem CID 3681202) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
PubChem CID3681202
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
SMILESCC1CCCC(C)N1C(=O)COC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C18H22N2O4/c1-13-4-3-5-14(2)20(13)17(21)11-24-18(22)12-23-16-8-6-15(10-19)7-9-16/h6-9,13-14H,3-5,11-12H2,1-2H3
InChIKeyFKDOOFNXIJSGCS-UHFFFAOYSA-N
XLogP2.27
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate (CID 3681202) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate is CC1CCCC(C)N1C(=O)COC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The InChIKey is FKDOOFNXIJSGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-13-4-3-5-14(2)20(13)17(21)11-24-18(22)12-23-16-8-6-15(10-19)7-9-16/h6-9,13-14H,3-5,11-12H2,1-2H3.
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate has a molecular weight of 330.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate is sourced from PubChem (CID 3681202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).