3-amino-6-methoxypiperidin-2-one

C6H12N2O2 — CID 67173862

IUPAC3-amino-6-methoxypiperidin-2-one
SMILESCOC1CCC(N)C(=O)N1
InChIInChI=1S/C6H12N2O2/c1-10-5-3-2-4(7)6(9)8-5/h4-5H,2-3,7H2,1H3,(H,8,9)
InChIKeyDLLBQBWSVKSIMY-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.80
Rot. Bonds1

About 3-amino-6-methoxypiperidin-2-one

3-amino-6-methoxypiperidin-2-one (PubChem CID 67173862) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-amino-6-methoxypiperidin-2-one.

Molecular Properties

Compound Name3-amino-6-methoxypiperidin-2-one
PubChem CID67173862
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3-amino-6-methoxypiperidin-2-one
SMILESCOC1CCC(N)C(=O)N1
InChIInChI=1S/C6H12N2O2/c1-10-5-3-2-4(7)6(9)8-5/h4-5H,2-3,7H2,1H3,(H,8,9)
InChIKeyDLLBQBWSVKSIMY-UHFFFAOYSA-N
XLogP-0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methoxypiperidin-2-one?
The IUPAC name of 3-amino-6-methoxypiperidin-2-one (CID 67173862) is 3-amino-6-methoxypiperidin-2-one.
What is the SMILES notation for 3-amino-6-methoxypiperidin-2-one?
The canonical SMILES for 3-amino-6-methoxypiperidin-2-one is COC1CCC(N)C(=O)N1.
What is the InChIKey of 3-amino-6-methoxypiperidin-2-one?
The InChIKey is DLLBQBWSVKSIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-10-5-3-2-4(7)6(9)8-5/h4-5H,2-3,7H2,1H3,(H,8,9).
What are the key properties of 3-amino-6-methoxypiperidin-2-one?
3-amino-6-methoxypiperidin-2-one has a molecular weight of 144.17 g/mol, XLogP of -0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methoxypiperidin-2-one is sourced from PubChem (CID 67173862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).