2-methoxy-1-(5-methyl-3-pyridinyl)piperidin-4-one

C12H16N2O2 — CID 90115770

IUPAC2-methoxy-1-(5-methyl-3-pyridinyl)piperidin-4-one
SMILESCOC1CC(=O)CCN1c1cncc(C)c1
InChIInChI=1S/C12H16N2O2/c1-9-5-10(8-13-7-9)14-4-3-11(15)6-12(14)16-2/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyIPZIBHCXPMHVHW-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.53
Rot. Bonds2

About 2-methoxy-1-(5-methyl-3-pyridinyl)piperidin-4-one

2-methoxy-1-(5-methyl-3-pyridinyl)piperidin-4-one (PubChem CID 90115770) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-methoxy-1-(5-methyl-3-pyridinyl)piperidin-4-one.

Molecular Properties

Compound Name2-methoxy-1-(5-methyl-3-pyridinyl)piperidin-4-one
PubChem CID90115770
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-methoxy-1-(5-methyl-3-pyridinyl)piperidin-4-one
SMILESCOC1CC(=O)CCN1c1cncc(C)c1
InChIInChI=1S/C12H16N2O2/c1-9-5-10(8-13-7-9)14-4-3-11(15)6-12(14)16-2/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyIPZIBHCXPMHVHW-UHFFFAOYSA-N
XLogP1.53
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(5-methyl-3-pyridinyl)piperidin-4-one?
The IUPAC name of 2-methoxy-1-(5-methyl-3-pyridinyl)piperidin-4-one (CID 90115770) is 2-methoxy-1-(5-methyl-3-pyridinyl)piperidin-4-one.
What is the SMILES notation for 2-methoxy-1-(5-methyl-3-pyridinyl)piperidin-4-one?
The canonical SMILES for 2-methoxy-1-(5-methyl-3-pyridinyl)piperidin-4-one is COC1CC(=O)CCN1c1cncc(C)c1.
What is the InChIKey of 2-methoxy-1-(5-methyl-3-pyridinyl)piperidin-4-one?
The InChIKey is IPZIBHCXPMHVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-5-10(8-13-7-9)14-4-3-11(15)6-12(14)16-2/h5,7-8,12H,3-4,6H2,1-2H3.
What are the key properties of 2-methoxy-1-(5-methyl-3-pyridinyl)piperidin-4-one?
2-methoxy-1-(5-methyl-3-pyridinyl)piperidin-4-one has a molecular weight of 220.27 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(5-methyl-3-pyridinyl)piperidin-4-one is sourced from PubChem (CID 90115770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).