ethyl 1-(2-ethoxyacetyl)piperidine-3-carboxylate

C12H21NO4 — CID 2947372

IUPACethyl 1-(2-ethoxyacetyl)piperidine-3-carboxylate
SMILESCCOCC(=O)N1CCCC(C(=O)OCC)C1
InChIInChI=1S/C12H21NO4/c1-3-16-9-11(14)13-7-5-6-10(8-13)12(15)17-4-2/h10H,3-9H2,1-2H3
InChIKeyXSFXBEBCCWDGPC-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.82
Rot. Bonds5

About ethyl 1-(2-ethoxyacetyl)piperidine-3-carboxylate

ethyl 1-(2-ethoxyacetyl)piperidine-3-carboxylate (PubChem CID 2947372) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is ethyl 1-(2-ethoxyacetyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-ethoxyacetyl)piperidine-3-carboxylate
PubChem CID2947372
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nameethyl 1-(2-ethoxyacetyl)piperidine-3-carboxylate
SMILESCCOCC(=O)N1CCCC(C(=O)OCC)C1
InChIInChI=1S/C12H21NO4/c1-3-16-9-11(14)13-7-5-6-10(8-13)12(15)17-4-2/h10H,3-9H2,1-2H3
InChIKeyXSFXBEBCCWDGPC-UHFFFAOYSA-N
XLogP0.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
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 ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-ethoxyacetyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-ethoxyacetyl)piperidine-3-carboxylate (CID 2947372) is ethyl 1-(2-ethoxyacetyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-ethoxyacetyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-ethoxyacetyl)piperidine-3-carboxylate is CCOCC(=O)N1CCCC(C(=O)OCC)C1.
What is the InChIKey of ethyl 1-(2-ethoxyacetyl)piperidine-3-carboxylate?
The InChIKey is XSFXBEBCCWDGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-16-9-11(14)13-7-5-6-10(8-13)12(15)17-4-2/h10H,3-9H2,1-2H3.
What are the key properties of ethyl 1-(2-ethoxyacetyl)piperidine-3-carboxylate?
ethyl 1-(2-ethoxyacetyl)piperidine-3-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-ethoxyacetyl)piperidine-3-carboxylate is sourced from PubChem (CID 2947372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).