ethyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate

C11H17NO5 — CID 22064769

IUPACethyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C(=O)OC
InChIInChI=1S/C11H17NO5/c1-3-17-10(14)8-6-4-5-7-12(8)9(13)11(15)16-2/h8H,3-7H2,1-2H3
InChIKeyOXQRLSIUMBHZJR-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.10
Rot. Bonds2

About ethyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate

ethyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate (PubChem CID 22064769) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is ethyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate
PubChem CID22064769
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Nameethyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C(=O)OC
InChIInChI=1S/C11H17NO5/c1-3-17-10(14)8-6-4-5-7-12(8)9(13)11(15)16-2/h8H,3-7H2,1-2H3
InChIKeyOXQRLSIUMBHZJR-UHFFFAOYSA-N
XLogP0.10
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate (CID 22064769) is ethyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)C(=O)OC.
What is the InChIKey of ethyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate?
The InChIKey is OXQRLSIUMBHZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-3-17-10(14)8-6-4-5-7-12(8)9(13)11(15)16-2/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate?
ethyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate is sourced from PubChem (CID 22064769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).