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

C18H25NO5 — CID 4219735

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C18H25NO5/c1-13-5-4-6-14(2)19(13)17(20)11-24-18(21)12-23-16-9-7-15(22-3)8-10-16/h7-10,13-14H,4-6,11-12H2,1-3H3
InChIKeyKHQBXSWBAYRQGG-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.41
Rot. Bonds6

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

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (PubChem CID 4219735) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
PubChem CID4219735
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C18H25NO5/c1-13-5-4-6-14(2)19(13)17(20)11-24-18(21)12-23-16-9-7-15(22-3)8-10-16/h7-10,13-14H,4-6,11-12H2,1-3H3
InChIKeyKHQBXSWBAYRQGG-UHFFFAOYSA-N
XLogP2.41
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.41
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-methoxyphenoxy)acetate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (CID 4219735) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)OCC(=O)N2C(C)CCCC2C)cc1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The InChIKey is KHQBXSWBAYRQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-13-5-4-6-14(2)19(13)17(20)11-24-18(21)12-23-16-9-7-15(22-3)8-10-16/h7-10,13-14H,4-6,11-12H2,1-3H3.
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate has a molecular weight of 335.40 g/mol, XLogP of 2.41, 6 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-methoxyphenoxy)acetate is sourced from PubChem (CID 4219735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).