ethyl 2-(2-oxopiperidin-1-yl)acetate

C9H15NO3 — CID 10750014

IUPACethyl 2-(2-oxopiperidin-1-yl)acetate
SMILESCCOC(=O)CN1CCCCC1=O
InChIInChI=1S/C9H15NO3/c1-2-13-9(12)7-10-6-4-3-5-8(10)11/h2-7H2,1H3
InChIKeyOWAWENPCRRJBOB-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.56
Rot. Bonds3

About ethyl 2-(2-oxopiperidin-1-yl)acetate

ethyl 2-(2-oxopiperidin-1-yl)acetate (PubChem CID 10750014) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl 2-(2-oxopiperidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-oxopiperidin-1-yl)acetate
PubChem CID10750014
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl 2-(2-oxopiperidin-1-yl)acetate
SMILESCCOC(=O)CN1CCCCC1=O
InChIInChI=1S/C9H15NO3/c1-2-13-9(12)7-10-6-4-3-5-8(10)11/h2-7H2,1H3
InChIKeyOWAWENPCRRJBOB-UHFFFAOYSA-N
XLogP0.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxopiperidin-1-yl)acetate?
The IUPAC name of ethyl 2-(2-oxopiperidin-1-yl)acetate (CID 10750014) is ethyl 2-(2-oxopiperidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2-oxopiperidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(2-oxopiperidin-1-yl)acetate is CCOC(=O)CN1CCCCC1=O.
What is the InChIKey of ethyl 2-(2-oxopiperidin-1-yl)acetate?
The InChIKey is OWAWENPCRRJBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-13-9(12)7-10-6-4-3-5-8(10)11/h2-7H2,1H3.
What are the key properties of ethyl 2-(2-oxopiperidin-1-yl)acetate?
ethyl 2-(2-oxopiperidin-1-yl)acetate has a molecular weight of 185.22 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxopiperidin-1-yl)acetate is sourced from PubChem (CID 10750014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).