ethyl 1-ethyl-4-oxopiperidine-3-carboxylate

C10H17NO3 — CID 7200941

IUPACethyl 1-ethyl-4-oxopiperidine-3-carboxylate
SMILESCCOC(=O)C1CN(CC)CCC1=O
InChIInChI=1S/C10H17NO3/c1-3-11-6-5-9(12)8(7-11)10(13)14-4-2/h8H,3-7H2,1-2H3
InChIKeyZKACXIUSAAGGDH-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.46
Rot. Bonds3

About ethyl 1-ethyl-4-oxopiperidine-3-carboxylate

ethyl 1-ethyl-4-oxopiperidine-3-carboxylate (PubChem CID 7200941) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 1-ethyl-4-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-4-oxopiperidine-3-carboxylate
PubChem CID7200941
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 1-ethyl-4-oxopiperidine-3-carboxylate
SMILESCCOC(=O)C1CN(CC)CCC1=O
InChIInChI=1S/C10H17NO3/c1-3-11-6-5-9(12)8(7-11)10(13)14-4-2/h8H,3-7H2,1-2H3
InChIKeyZKACXIUSAAGGDH-UHFFFAOYSA-N
XLogP0.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-4-oxopiperidine-3-carboxylate?
The IUPAC name of ethyl 1-ethyl-4-oxopiperidine-3-carboxylate (CID 7200941) is ethyl 1-ethyl-4-oxopiperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-4-oxopiperidine-3-carboxylate?
The canonical SMILES for ethyl 1-ethyl-4-oxopiperidine-3-carboxylate is CCOC(=O)C1CN(CC)CCC1=O.
What is the InChIKey of ethyl 1-ethyl-4-oxopiperidine-3-carboxylate?
The InChIKey is ZKACXIUSAAGGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-11-6-5-9(12)8(7-11)10(13)14-4-2/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 1-ethyl-4-oxopiperidine-3-carboxylate?
ethyl 1-ethyl-4-oxopiperidine-3-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-4-oxopiperidine-3-carboxylate is sourced from PubChem (CID 7200941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).