6-methoxypiperidin-2-one

C6H11NO2 — CID 566665

IUPAC6-methoxypiperidin-2-one
SMILESCOC1CCCC(=O)N1
InChIInChI=1S/C6H11NO2/c1-9-6-4-2-3-5(8)7-6/h6H,2-4H2,1H3,(H,7,8)
InChIKeyGHUQMJJLFXGPEJ-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.26
Rot. Bonds1

About 6-methoxypiperidin-2-one

6-methoxypiperidin-2-one (PubChem CID 566665) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 6-methoxypiperidin-2-one.

Molecular Properties

Compound Name6-methoxypiperidin-2-one
PubChem CID566665
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name6-methoxypiperidin-2-one
SMILESCOC1CCCC(=O)N1
InChIInChI=1S/C6H11NO2/c1-9-6-4-2-3-5(8)7-6/h6H,2-4H2,1H3,(H,7,8)
InChIKeyGHUQMJJLFXGPEJ-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxypiperidin-2-one?
The IUPAC name of 6-methoxypiperidin-2-one (CID 566665) is 6-methoxypiperidin-2-one.
What is the SMILES notation for 6-methoxypiperidin-2-one?
The canonical SMILES for 6-methoxypiperidin-2-one is COC1CCCC(=O)N1.
What is the InChIKey of 6-methoxypiperidin-2-one?
The InChIKey is GHUQMJJLFXGPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-9-6-4-2-3-5(8)7-6/h6H,2-4H2,1H3,(H,7,8).
What are the key properties of 6-methoxypiperidin-2-one?
6-methoxypiperidin-2-one has a molecular weight of 129.16 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxypiperidin-2-one is sourced from PubChem (CID 566665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).