(3R)-3-ethoxypiperidin-4-one

C7H13NO2 — CID 124583263

IUPAC(3R)-3-ethoxypiperidin-4-one
SMILESCCO[C@@H]1CNCCC1=O
InChIInChI=1S/C7H13NO2/c1-2-10-7-5-8-4-3-6(7)9/h7-8H,2-5H2,1H3/t7-/m1/s1
InChIKeyHOZHWKYWSHCVBK-SSDOTTSWSA-N
MW143.19 g/mol
LogP-0.05
Rot. Bonds2

About (3R)-3-ethoxypiperidin-4-one

(3R)-3-ethoxypiperidin-4-one (PubChem CID 124583263) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (3R)-3-ethoxypiperidin-4-one.

Molecular Properties

Compound Name(3R)-3-ethoxypiperidin-4-one
PubChem CID124583263
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(3R)-3-ethoxypiperidin-4-one
SMILESCCO[C@@H]1CNCCC1=O
InChIInChI=1S/C7H13NO2/c1-2-10-7-5-8-4-3-6(7)9/h7-8H,2-5H2,1H3/t7-/m1/s1
InChIKeyHOZHWKYWSHCVBK-SSDOTTSWSA-N
XLogP-0.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethoxypiperidin-4-one?
The IUPAC name of (3R)-3-ethoxypiperidin-4-one (CID 124583263) is (3R)-3-ethoxypiperidin-4-one.
What is the SMILES notation for (3R)-3-ethoxypiperidin-4-one?
The canonical SMILES for (3R)-3-ethoxypiperidin-4-one is CCO[C@@H]1CNCCC1=O.
What is the InChIKey of (3R)-3-ethoxypiperidin-4-one?
The InChIKey is HOZHWKYWSHCVBK-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-10-7-5-8-4-3-6(7)9/h7-8H,2-5H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-3-ethoxypiperidin-4-one?
(3R)-3-ethoxypiperidin-4-one has a molecular weight of 143.19 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethoxypiperidin-4-one is sourced from PubChem (CID 124583263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).