4-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one

C13H19N3O3 — CID 136804051

IUPAC4-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCOCC(=O)N1CCC(c2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C13H19N3O3/c1-9-14-11(7-12(17)15-9)10-3-5-16(6-4-10)13(18)8-19-2/h7,10H,3-6,8H2,1-2H3,(H,14,15,17)
InChIKeyPPDWFPGKFGSCOB-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.43
Rot. Bonds3

About 4-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one

4-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136804051) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136804051
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCOCC(=O)N1CCC(c2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C13H19N3O3/c1-9-14-11(7-12(17)15-9)10-3-5-16(6-4-10)13(18)8-19-2/h7,10H,3-6,8H2,1-2H3,(H,14,15,17)
InChIKeyPPDWFPGKFGSCOB-UHFFFAOYSA-N
XLogP0.43
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one (CID 136804051) is 4-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one is COCC(=O)N1CCC(c2cc(=O)[nH]c(C)n2)CC1.
What is the InChIKey of 4-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is PPDWFPGKFGSCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-14-11(7-12(17)15-9)10-3-5-16(6-4-10)13(18)8-19-2/h7,10H,3-6,8H2,1-2H3,(H,14,15,17).
What are the key properties of 4-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
4-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 265.31 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136804051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).