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

C12H18N2O2 — CID 84687737

IUPAC2-methyl-3-(piperidin-3-ylmethoxy)-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCC1CCCNC1
InChIInChI=1S/C12H18N2O2/c1-9-12(11(15)4-6-14-9)16-8-10-3-2-5-13-7-10/h4,6,10,13H,2-3,5,7-8H2,1H3,(H,14,15)
InChIKeyMBWFOMSCYNFBTL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.06
Rot. Bonds3

About 2-methyl-3-(piperidin-3-ylmethoxy)-1H-pyridin-4-one

2-methyl-3-(piperidin-3-ylmethoxy)-1H-pyridin-4-one (PubChem CID 84687737) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-methyl-3-(piperidin-3-ylmethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-(piperidin-3-ylmethoxy)-1H-pyridin-4-one
PubChem CID84687737
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-methyl-3-(piperidin-3-ylmethoxy)-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCC1CCCNC1
InChIInChI=1S/C12H18N2O2/c1-9-12(11(15)4-6-14-9)16-8-10-3-2-5-13-7-10/h4,6,10,13H,2-3,5,7-8H2,1H3,(H,14,15)
InChIKeyMBWFOMSCYNFBTL-UHFFFAOYSA-N
XLogP1.06
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperidin-3-ylmethoxymethyl)-5-propoxy-1H-pyridin-4-one
CID 84007320
2-methyl-3-piperidin-4-yloxy-1H-pyridin-4-one
CID 84676150
3-(piperidin-3-ylmethoxy)-1H-pyridin-4-one
CID 84676159
1,2-Dimethyl-3-piperidin-4-yloxypyridin-4-one
CID 84687731
1-Methyl-3-(piperidin-3-ylmethoxy)pyridin-4-one
CID 84687738
2-methyl-3-(piperidin-4-ylmethoxy)-1H-pyridin-4-one
CID 84687739
2-Methyl-3-(piperidin-3-ylmethoxy)pyran-4-one
CID 84688340
1,2-Dimethyl-3-(piperidin-3-ylmethoxy)pyridin-4-one
CID 84699532
1,2-Dimethyl-3-(piperidin-4-ylmethoxy)pyridin-4-one
CID 84699533

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(piperidin-3-ylmethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-methyl-3-(piperidin-3-ylmethoxy)-1H-pyridin-4-one (CID 84687737) is 2-methyl-3-(piperidin-3-ylmethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-3-(piperidin-3-ylmethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-3-(piperidin-3-ylmethoxy)-1H-pyridin-4-one is Cc1[nH]ccc(=O)c1OCC1CCCNC1.
What is the InChIKey of 2-methyl-3-(piperidin-3-ylmethoxy)-1H-pyridin-4-one?
The InChIKey is MBWFOMSCYNFBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-12(11(15)4-6-14-9)16-8-10-3-2-5-13-7-10/h4,6,10,13H,2-3,5,7-8H2,1H3,(H,14,15).
What are the key properties of 2-methyl-3-(piperidin-3-ylmethoxy)-1H-pyridin-4-one?
2-methyl-3-(piperidin-3-ylmethoxy)-1H-pyridin-4-one has a molecular weight of 222.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(piperidin-3-ylmethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 84687737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).