ethyl 6-oxopiperidine-3-carboxylate

C8H13NO3 — CID 15386078

IUPACethyl 6-oxopiperidine-3-carboxylate
SMILESCCOC(=O)C1CCC(=O)NC1
InChIInChI=1S/C8H13NO3/c1-2-12-8(11)6-3-4-7(10)9-5-6/h6H,2-5H2,1H3,(H,9,10)
InChIKeyGWORLJZWUFKLLH-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.08
Rot. Bonds2

About ethyl 6-oxopiperidine-3-carboxylate

ethyl 6-oxopiperidine-3-carboxylate (PubChem CID 15386078) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is ethyl 6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxopiperidine-3-carboxylate
PubChem CID15386078
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Nameethyl 6-oxopiperidine-3-carboxylate
SMILESCCOC(=O)C1CCC(=O)NC1
InChIInChI=1S/C8H13NO3/c1-2-12-8(11)6-3-4-7(10)9-5-6/h6H,2-5H2,1H3,(H,9,10)
InChIKeyGWORLJZWUFKLLH-UHFFFAOYSA-N
XLogP0.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxopiperidine-3-carboxylate?
The IUPAC name of ethyl 6-oxopiperidine-3-carboxylate (CID 15386078) is ethyl 6-oxopiperidine-3-carboxylate.
What is the SMILES notation for ethyl 6-oxopiperidine-3-carboxylate?
The canonical SMILES for ethyl 6-oxopiperidine-3-carboxylate is CCOC(=O)C1CCC(=O)NC1.
What is the InChIKey of ethyl 6-oxopiperidine-3-carboxylate?
The InChIKey is GWORLJZWUFKLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-12-8(11)6-3-4-7(10)9-5-6/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of ethyl 6-oxopiperidine-3-carboxylate?
ethyl 6-oxopiperidine-3-carboxylate has a molecular weight of 171.20 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 15386078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).