2-methoxy-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone

C13H19N3O2 — CID 73440276

IUPAC2-methoxy-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCCC1c1nccc(C)n1
InChIInChI=1S/C13H19N3O2/c1-10-6-7-14-13(15-10)11-5-3-4-8-16(11)12(17)9-18-2/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyZDZMTRHQDYDSSM-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.49
Rot. Bonds3

About 2-methoxy-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone

2-methoxy-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone (PubChem CID 73440276) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-methoxy-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone
PubChem CID73440276
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-methoxy-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCCC1c1nccc(C)n1
InChIInChI=1S/C13H19N3O2/c1-10-6-7-14-13(15-10)11-5-3-4-8-16(11)12(17)9-18-2/h6-7,11H,3-5,8-9H2,1-2H3
InChIKeyZDZMTRHQDYDSSM-UHFFFAOYSA-N
XLogP1.49
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-((4-Methylpyrimidin-2-yl)oxy)-1-(pyrrolidin-1-yl)ethanone
CID 52417044
1-(2-((4-Methylpyrimidin-2-yl)oxy)acetyl)piperidine-4-carboxamide
CID 52417045
2-((4-Methylpyrimidin-2-yl)oxy)-1-(4-(pyrimidin-2-yl)piperazin-1-yl)ethanone
CID 70703494
1-[2-(4-Methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 73439401
2-(Dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 73440182
3-Methoxy-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110250159
2-Methoxy-1-(2-pyrimidin-4-ylpiperidin-1-yl)ethanone
CID 110254253
1-[2-(4-Methylpyrimidin-2-yl)piperidin-1-yl]butan-1-one
CID 110256003
N-[[6-(dimethylamino)-2-[1-(2-methoxyacetyl)piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
CID 110259590
4-Methyl-3-(4-methylpyrimidin-2-yl)morpholine
CID 110269460
2-(Methylamino)-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone
CID 110269942
2-Methoxy-1-[2-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110270549

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone (CID 73440276) is 2-methoxy-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone is COCC(=O)N1CCCCC1c1nccc(C)n1.
What is the InChIKey of 2-methoxy-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone?
The InChIKey is ZDZMTRHQDYDSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-6-7-14-13(15-10)11-5-3-4-8-16(11)12(17)9-18-2/h6-7,11H,3-5,8-9H2,1-2H3.
What are the key properties of 2-methoxy-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone?
2-methoxy-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone has a molecular weight of 249.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 73440276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).