ethyl 3-[2-(2-ethoxy-2-oxoethyl)piperidin-1-yl]propanoate

C14H25NO4 — CID 11097645

IUPACethyl 3-[2-(2-ethoxy-2-oxoethyl)piperidin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCCCC1CC(=O)OCC
InChIInChI=1S/C14H25NO4/c1-3-18-13(16)8-10-15-9-6-5-7-12(15)11-14(17)19-4-2/h12H,3-11H2,1-2H3
InChIKeyCBQDHKNYCRNMLW-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.75
Rot. Bonds7

About ethyl 3-[2-(2-ethoxy-2-oxoethyl)piperidin-1-yl]propanoate

ethyl 3-[2-(2-ethoxy-2-oxoethyl)piperidin-1-yl]propanoate (PubChem CID 11097645) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethyl 3-[2-(2-ethoxy-2-oxoethyl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(2-ethoxy-2-oxoethyl)piperidin-1-yl]propanoate
PubChem CID11097645
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nameethyl 3-[2-(2-ethoxy-2-oxoethyl)piperidin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCCCC1CC(=O)OCC
InChIInChI=1S/C14H25NO4/c1-3-18-13(16)8-10-15-9-6-5-7-12(15)11-14(17)19-4-2/h12H,3-11H2,1-2H3
InChIKeyCBQDHKNYCRNMLW-UHFFFAOYSA-N
XLogP1.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2-ethoxy-2-oxoethyl)piperidin-1-yl]propanoate?
The IUPAC name of ethyl 3-[2-(2-ethoxy-2-oxoethyl)piperidin-1-yl]propanoate (CID 11097645) is ethyl 3-[2-(2-ethoxy-2-oxoethyl)piperidin-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(2-ethoxy-2-oxoethyl)piperidin-1-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(2-ethoxy-2-oxoethyl)piperidin-1-yl]propanoate is CCOC(=O)CCN1CCCCC1CC(=O)OCC.
What is the InChIKey of ethyl 3-[2-(2-ethoxy-2-oxoethyl)piperidin-1-yl]propanoate?
The InChIKey is CBQDHKNYCRNMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-18-13(16)8-10-15-9-6-5-7-12(15)11-14(17)19-4-2/h12H,3-11H2,1-2H3.
What are the key properties of ethyl 3-[2-(2-ethoxy-2-oxoethyl)piperidin-1-yl]propanoate?
ethyl 3-[2-(2-ethoxy-2-oxoethyl)piperidin-1-yl]propanoate has a molecular weight of 271.36 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2-ethoxy-2-oxoethyl)piperidin-1-yl]propanoate is sourced from PubChem (CID 11097645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).