1-methyl-3-(piperidin-3-ylmethoxy)pyridin-4-one

C12H18N2O2 — CID 84687738

IUPAC1-methyl-3-(piperidin-3-ylmethoxy)pyridin-4-one
SMILESCn1ccc(=O)c(OCC2CCCNC2)c1
InChIInChI=1S/C12H18N2O2/c1-14-6-4-11(15)12(8-14)16-9-10-3-2-5-13-7-10/h4,6,8,10,13H,2-3,5,7,9H2,1H3
InChIKeyJCCHTDXDZMRYGC-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.76
Rot. Bonds3

About 1-methyl-3-(piperidin-3-ylmethoxy)pyridin-4-one

1-methyl-3-(piperidin-3-ylmethoxy)pyridin-4-one (PubChem CID 84687738) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-methyl-3-(piperidin-3-ylmethoxy)pyridin-4-one.

Molecular Properties

Compound Name1-methyl-3-(piperidin-3-ylmethoxy)pyridin-4-one
PubChem CID84687738
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-methyl-3-(piperidin-3-ylmethoxy)pyridin-4-one
SMILESCn1ccc(=O)c(OCC2CCCNC2)c1
InChIInChI=1S/C12H18N2O2/c1-14-6-4-11(15)12(8-14)16-9-10-3-2-5-13-7-10/h4,6,8,10,13H,2-3,5,7,9H2,1H3
InChIKeyJCCHTDXDZMRYGC-UHFFFAOYSA-N
XLogP0.76
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-3-piperidin-4-yloxypyridin-4-one
CID 84676151
3-(piperidin-3-ylmethoxy)-1H-pyridin-4-one
CID 84676159
3-(piperidin-4-ylmethoxy)-1H-pyridin-4-one
CID 84676160
3-(Piperidin-3-ylmethoxy)pyran-4-one
CID 84676766
2-methyl-3-(piperidin-3-ylmethoxy)-1H-pyridin-4-one
CID 84687737
1-Methyl-3-(piperidin-4-ylmethoxy)pyridin-4-one
CID 84687740
2-Methyl-3-(piperidin-3-ylmethoxy)pyran-4-one
CID 84688340
3-Piperidin-4-yloxy-1-propan-2-ylpyridin-4-one
CID 84699528
1,2-Dimethyl-3-(piperidin-3-ylmethoxy)pyridin-4-one
CID 84699532

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(piperidin-3-ylmethoxy)pyridin-4-one?
The IUPAC name of 1-methyl-3-(piperidin-3-ylmethoxy)pyridin-4-one (CID 84687738) is 1-methyl-3-(piperidin-3-ylmethoxy)pyridin-4-one.
What is the SMILES notation for 1-methyl-3-(piperidin-3-ylmethoxy)pyridin-4-one?
The canonical SMILES for 1-methyl-3-(piperidin-3-ylmethoxy)pyridin-4-one is Cn1ccc(=O)c(OCC2CCCNC2)c1.
What is the InChIKey of 1-methyl-3-(piperidin-3-ylmethoxy)pyridin-4-one?
The InChIKey is JCCHTDXDZMRYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14-6-4-11(15)12(8-14)16-9-10-3-2-5-13-7-10/h4,6,8,10,13H,2-3,5,7,9H2,1H3.
What are the key properties of 1-methyl-3-(piperidin-3-ylmethoxy)pyridin-4-one?
1-methyl-3-(piperidin-3-ylmethoxy)pyridin-4-one has a molecular weight of 222.29 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(piperidin-3-ylmethoxy)pyridin-4-one is sourced from PubChem (CID 84687738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).