5-ethoxypiperidin-2-one

C7H13NO2 — CID 58376444

IUPAC5-ethoxypiperidin-2-one
SMILESCCOC1CCC(=O)NC1
InChIInChI=1S/C7H13NO2/c1-2-10-6-3-4-7(9)8-5-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyNJKSVZZSHATLCV-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.30
Rot. Bonds2

About 5-ethoxypiperidin-2-one

5-ethoxypiperidin-2-one (PubChem CID 58376444) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 5-ethoxypiperidin-2-one.

Molecular Properties

Compound Name5-ethoxypiperidin-2-one
PubChem CID58376444
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name5-ethoxypiperidin-2-one
SMILESCCOC1CCC(=O)NC1
InChIInChI=1S/C7H13NO2/c1-2-10-6-3-4-7(9)8-5-6/h6H,2-5H2,1H3,(H,8,9)
InChIKeyNJKSVZZSHATLCV-UHFFFAOYSA-N
XLogP0.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxypiperidin-2-one?
The IUPAC name of 5-ethoxypiperidin-2-one (CID 58376444) is 5-ethoxypiperidin-2-one.
What is the SMILES notation for 5-ethoxypiperidin-2-one?
The canonical SMILES for 5-ethoxypiperidin-2-one is CCOC1CCC(=O)NC1.
What is the InChIKey of 5-ethoxypiperidin-2-one?
The InChIKey is NJKSVZZSHATLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-10-6-3-4-7(9)8-5-6/h6H,2-5H2,1H3,(H,8,9).
What are the key properties of 5-ethoxypiperidin-2-one?
5-ethoxypiperidin-2-one has a molecular weight of 143.19 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxypiperidin-2-one is sourced from PubChem (CID 58376444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).