ethyl 1-(2-ethoxy-2-oxoethyl)-4-prop-2-enylpiperidine-4-carboxylate

C15H25NO4 — CID 22097575

IUPACethyl 1-(2-ethoxy-2-oxoethyl)-4-prop-2-enylpiperidine-4-carboxylate
SMILESC=CCC1(C(=O)OCC)CCN(CC(=O)OCC)CC1
InChIInChI=1S/C15H25NO4/c1-4-7-15(14(18)20-6-3)8-10-16(11-9-15)12-13(17)19-5-2/h4H,1,5-12H2,2-3H3
InChIKeyYVEKJICUYDVWQA-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.77
Rot. Bonds7

About ethyl 1-(2-ethoxy-2-oxoethyl)-4-prop-2-enylpiperidine-4-carboxylate

ethyl 1-(2-ethoxy-2-oxoethyl)-4-prop-2-enylpiperidine-4-carboxylate (PubChem CID 22097575) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 1-(2-ethoxy-2-oxoethyl)-4-prop-2-enylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-ethoxy-2-oxoethyl)-4-prop-2-enylpiperidine-4-carboxylate
PubChem CID22097575
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Nameethyl 1-(2-ethoxy-2-oxoethyl)-4-prop-2-enylpiperidine-4-carboxylate
SMILESC=CCC1(C(=O)OCC)CCN(CC(=O)OCC)CC1
InChIInChI=1S/C15H25NO4/c1-4-7-15(14(18)20-6-3)8-10-16(11-9-15)12-13(17)19-5-2/h4H,1,5-12H2,2-3H3
InChIKeyYVEKJICUYDVWQA-UHFFFAOYSA-N
XLogP1.77
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-ethoxy-2-oxoethyl)-4-prop-2-enylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-ethoxy-2-oxoethyl)-4-prop-2-enylpiperidine-4-carboxylate (CID 22097575) is ethyl 1-(2-ethoxy-2-oxoethyl)-4-prop-2-enylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-ethoxy-2-oxoethyl)-4-prop-2-enylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-ethoxy-2-oxoethyl)-4-prop-2-enylpiperidine-4-carboxylate is C=CCC1(C(=O)OCC)CCN(CC(=O)OCC)CC1.
What is the InChIKey of ethyl 1-(2-ethoxy-2-oxoethyl)-4-prop-2-enylpiperidine-4-carboxylate?
The InChIKey is YVEKJICUYDVWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-4-7-15(14(18)20-6-3)8-10-16(11-9-15)12-13(17)19-5-2/h4H,1,5-12H2,2-3H3.
What are the key properties of ethyl 1-(2-ethoxy-2-oxoethyl)-4-prop-2-enylpiperidine-4-carboxylate?
ethyl 1-(2-ethoxy-2-oxoethyl)-4-prop-2-enylpiperidine-4-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-ethoxy-2-oxoethyl)-4-prop-2-enylpiperidine-4-carboxylate is sourced from PubChem (CID 22097575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).