ethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate

C12H19NO5 — CID 5185709

IUPACethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate
SMILESCCOC(=O)C(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C12H19NO5/c1-3-17-11(15)9-5-7-13(8-6-9)10(14)12(16)18-4-2/h9H,3-8H2,1-2H3
InChIKeyDLGDHSSWISMKHL-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.35
Rot. Bonds3

About ethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate

ethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate (PubChem CID 5185709) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate
PubChem CID5185709
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Nameethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate
SMILESCCOC(=O)C(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C12H19NO5/c1-3-17-11(15)9-5-7-13(8-6-9)10(14)12(16)18-4-2/h9H,3-8H2,1-2H3
InChIKeyDLGDHSSWISMKHL-UHFFFAOYSA-N
XLogP0.35
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate
CID 74605
Methyl 4-carbethoxy-1-piperidineacetate
CID 260383
Methyl 1-[ethoxy(oxo)acetyl]-4-piperidinecarboxylate
CID 2162118
Ethyl 1-acetylpiperidine-4-carboxylate
CID 690430
Ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
CID 670003
4-Ethyl 1-methyl piperidine-1,4-dicarboxylate
CID 16641058
Methyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
CID 296033
Butyl 2-oxo-2-piperidin-1-ylacetate
CID 101911870
Ethyl 1-(2-ethoxyacetyl)piperidine-4-carboxylate
CID 2162839
4-Methyl-6-(1-methylethyl)-3-(1-methylpropyl)-2,5-morpholinedione
CID 558283
Methyl 2-[2-(3-methoxy-4-methylpiperidin-1-yl)-2-oxoethoxy]acetate
CID 137980604
methyl (3S,4S)-1-(2-butan-2-yloxyacetyl)-3-methylpiperidine-4-carboxylate
CID 138036356

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate (CID 5185709) is ethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate is CCOC(=O)C(=O)N1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate?
The InChIKey is DLGDHSSWISMKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-3-17-11(15)9-5-7-13(8-6-9)10(14)12(16)18-4-2/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate?
ethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 0.35, 3 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-oxoacetyl)piperidine-4-carboxylate is sourced from PubChem (CID 5185709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).