(2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate

C12H21NO4 — CID 59843350

IUPAC(2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate
SMILESCCOC(=O)COC(=O)CC1CCN(C)CC1
InChIInChI=1S/C12H21NO4/c1-3-16-12(15)9-17-11(14)8-10-4-6-13(2)7-5-10/h10H,3-9H2,1-2H3
InChIKeyFTAIFKAGQLFOKM-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.82
Rot. Bonds5

About (2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate

(2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate (PubChem CID 59843350) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate
PubChem CID59843350
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name(2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate
SMILESCCOC(=O)COC(=O)CC1CCN(C)CC1
InChIInChI=1S/C12H21NO4/c1-3-16-12(15)9-17-11(14)8-10-4-6-13(2)7-5-10/h10H,3-9H2,1-2H3
InChIKeyFTAIFKAGQLFOKM-UHFFFAOYSA-N
XLogP0.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate?
The IUPAC name of (2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate (CID 59843350) is (2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate?
The canonical SMILES for (2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate is CCOC(=O)COC(=O)CC1CCN(C)CC1.
What is the InChIKey of (2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate?
The InChIKey is FTAIFKAGQLFOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-16-12(15)9-17-11(14)8-10-4-6-13(2)7-5-10/h10H,3-9H2,1-2H3.
What are the key properties of (2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate?
(2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate has a molecular weight of 243.30 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate is sourced from PubChem (CID 59843350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).