1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-one

C11H15N3O3 — CID 115354867

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-one
SMILESCOc1cc(OC)nc(N2CCCC(=O)C2)n1
InChIInChI=1S/C11H15N3O3/c1-16-9-6-10(17-2)13-11(12-9)14-5-3-4-8(15)7-14/h6H,3-5,7H2,1-2H3
InChIKeyGEGLCGSNNMDODX-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.66
Rot. Bonds3

About 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-one

1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-one (PubChem CID 115354867) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-one.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-one
PubChem CID115354867
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-one
SMILESCOc1cc(OC)nc(N2CCCC(=O)C2)n1
InChIInChI=1S/C11H15N3O3/c1-16-9-6-10(17-2)13-11(12-9)14-5-3-4-8(15)7-14/h6H,3-5,7H2,1-2H3
InChIKeyGEGLCGSNNMDODX-UHFFFAOYSA-N
XLogP0.66
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-one?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-one (CID 115354867) is 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-one.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-one?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-one is COc1cc(OC)nc(N2CCCC(=O)C2)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-one?
The InChIKey is GEGLCGSNNMDODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-16-9-6-10(17-2)13-11(12-9)14-5-3-4-8(15)7-14/h6H,3-5,7H2,1-2H3.
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-one?
1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-one has a molecular weight of 237.26 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-one is sourced from PubChem (CID 115354867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).