3-methoxypiperidin-4-one

C6H11NO2 — CID 53407785

IUPAC3-methoxypiperidin-4-one
SMILESCOC1CNCCC1=O
InChIInChI=1S/C6H11NO2/c1-9-6-4-7-3-2-5(6)8/h6-7H,2-4H2,1H3
InChIKeyKPSHBSYPAIHMTG-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.44
Rot. Bonds1

About 3-methoxypiperidin-4-one

3-methoxypiperidin-4-one (PubChem CID 53407785) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-methoxypiperidin-4-one.

Molecular Properties

Compound Name3-methoxypiperidin-4-one
PubChem CID53407785
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-methoxypiperidin-4-one
SMILESCOC1CNCCC1=O
InChIInChI=1S/C6H11NO2/c1-9-6-4-7-3-2-5(6)8/h6-7H,2-4H2,1H3
InChIKeyKPSHBSYPAIHMTG-UHFFFAOYSA-N
XLogP-0.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxypiperidin-4-one?
The IUPAC name of 3-methoxypiperidin-4-one (CID 53407785) is 3-methoxypiperidin-4-one.
What is the SMILES notation for 3-methoxypiperidin-4-one?
The canonical SMILES for 3-methoxypiperidin-4-one is COC1CNCCC1=O.
What is the InChIKey of 3-methoxypiperidin-4-one?
The InChIKey is KPSHBSYPAIHMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-9-6-4-7-3-2-5(6)8/h6-7H,2-4H2,1H3.
What are the key properties of 3-methoxypiperidin-4-one?
3-methoxypiperidin-4-one has a molecular weight of 129.16 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypiperidin-4-one is sourced from PubChem (CID 53407785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).