3-methoxypiperidin-2-one

C6H11NO2 — CID 22996994

IUPAC3-methoxypiperidin-2-one
SMILESCOC1CCCNC1=O
InChIInChI=1S/C6H11NO2/c1-9-5-3-2-4-7-6(5)8/h5H,2-4H2,1H3,(H,7,8)
InChIKeyKCQXYISBJUBSAD-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.09
Rot. Bonds1

About 3-methoxypiperidin-2-one

3-methoxypiperidin-2-one (PubChem CID 22996994) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-methoxypiperidin-2-one.

Molecular Properties

Compound Name3-methoxypiperidin-2-one
PubChem CID22996994
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-methoxypiperidin-2-one
SMILESCOC1CCCNC1=O
InChIInChI=1S/C6H11NO2/c1-9-5-3-2-4-7-6(5)8/h5H,2-4H2,1H3,(H,7,8)
InChIKeyKCQXYISBJUBSAD-UHFFFAOYSA-N
XLogP-0.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxypiperidin-2-one?
The IUPAC name of 3-methoxypiperidin-2-one (CID 22996994) is 3-methoxypiperidin-2-one.
What is the SMILES notation for 3-methoxypiperidin-2-one?
The canonical SMILES for 3-methoxypiperidin-2-one is COC1CCCNC1=O.
What is the InChIKey of 3-methoxypiperidin-2-one?
The InChIKey is KCQXYISBJUBSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-9-5-3-2-4-7-6(5)8/h5H,2-4H2,1H3,(H,7,8).
What are the key properties of 3-methoxypiperidin-2-one?
3-methoxypiperidin-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypiperidin-2-one is sourced from PubChem (CID 22996994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).