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

C11H17NO5 — CID 2162118

IUPACmethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate
SMILESCCOC(=O)C(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C11H17NO5/c1-3-17-11(15)9(13)12-6-4-8(5-7-12)10(14)16-2/h8H,3-7H2,1-2H3
InChIKeyHESDAZZECDXTAK-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.04
Rot. Bonds2

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

methyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate (PubChem CID 2162118) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate
PubChem CID2162118
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Namemethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate
SMILESCCOC(=O)C(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C11H17NO5/c1-3-17-11(15)9(13)12-6-4-8(5-7-12)10(14)16-2/h8H,3-7H2,1-2H3
InChIKeyHESDAZZECDXTAK-UHFFFAOYSA-N
XLogP-0.04
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 ≤ 5-0.04
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
Ethyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate
CID 5185709
Methyl 4-carbethoxy-1-piperidineacetate
CID 260383
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 methyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate (CID 2162118) is methyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate is CCOC(=O)C(=O)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate?
The InChIKey is HESDAZZECDXTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-3-17-11(15)9(13)12-6-4-8(5-7-12)10(14)16-2/h8H,3-7H2,1-2H3.
What are the key properties of methyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate?
methyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate has a molecular weight of 243.26 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-ethoxy-2-oxoacetyl)piperidine-4-carboxylate is sourced from PubChem (CID 2162118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).