ethyl 3-ethyl-2-oxopiperidine-3-carboxylate

C10H17NO3 — CID 10798054

IUPACethyl 3-ethyl-2-oxopiperidine-3-carboxylate
SMILESCCOC(=O)C1(CC)CCCNC1=O
InChIInChI=1S/C10H17NO3/c1-3-10(9(13)14-4-2)6-5-7-11-8(10)12/h3-7H2,1-2H3,(H,11,12)
InChIKeyTVKQOZBDAZOPIE-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.86
Rot. Bonds3

About ethyl 3-ethyl-2-oxopiperidine-3-carboxylate

ethyl 3-ethyl-2-oxopiperidine-3-carboxylate (PubChem CID 10798054) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 3-ethyl-2-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-2-oxopiperidine-3-carboxylate
PubChem CID10798054
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 3-ethyl-2-oxopiperidine-3-carboxylate
SMILESCCOC(=O)C1(CC)CCCNC1=O
InChIInChI=1S/C10H17NO3/c1-3-10(9(13)14-4-2)6-5-7-11-8(10)12/h3-7H2,1-2H3,(H,11,12)
InChIKeyTVKQOZBDAZOPIE-UHFFFAOYSA-N
XLogP0.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-Carbethoxy-2-piperidone
CID 97773
Methyl 2-oxopiperidine-3-carboxylate
CID 3981101
Ethyl 3-fluoro-2-oxopiperidine-3-carboxylate
CID 67402659
Methyl 3-ethylpiperidine-3-carboxylate hydrochloride
CID 75531035
Ethyl 3-methyl-6-oxopiperidine-3-carboxylate
CID 19019560
Ethyl 3-(methoxymethyl)piperidine-3-carboxylate
CID 91654385
Tert-butyl 3-(methoxymethyl)piperidine-3-carboxylate
CID 132351057
Ethyl 3-(hydroxymethyl)-2-oxopiperidine-3-carboxylate
CID 165978892
(Rac)-methyl 3-fluoro-2-oxopiperidine-3-carboxylate
CID 139201067
3-Boc-piperidinone
CID 67512109
Ethyl (3S)-3-fluoro-2-oxo-3-piperidinecarboxylate
CID 67465671
Ethyl 4-fluoro-2-oxopiperidine-3-carboxylate
CID 123753147

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-2-oxopiperidine-3-carboxylate?
The IUPAC name of ethyl 3-ethyl-2-oxopiperidine-3-carboxylate (CID 10798054) is ethyl 3-ethyl-2-oxopiperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-2-oxopiperidine-3-carboxylate?
The canonical SMILES for ethyl 3-ethyl-2-oxopiperidine-3-carboxylate is CCOC(=O)C1(CC)CCCNC1=O.
What is the InChIKey of ethyl 3-ethyl-2-oxopiperidine-3-carboxylate?
The InChIKey is TVKQOZBDAZOPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-10(9(13)14-4-2)6-5-7-11-8(10)12/h3-7H2,1-2H3,(H,11,12).
What are the key properties of ethyl 3-ethyl-2-oxopiperidine-3-carboxylate?
ethyl 3-ethyl-2-oxopiperidine-3-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-2-oxopiperidine-3-carboxylate is sourced from PubChem (CID 10798054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).