1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]propan-1-one

C13H19N3O — CID 73439064

IUPAC1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCCC1c1nccc(C)n1
InChIInChI=1S/C13H19N3O/c1-3-12(17)16-9-5-4-6-11(16)13-14-8-7-10(2)15-13/h7-8,11H,3-6,9H2,1-2H3
InChIKeyXAZDHFMYCRAMMS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.25
Rot. Bonds2

About 1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]propan-1-one

1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 73439064) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]propan-1-one
PubChem CID73439064
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCCC1c1nccc(C)n1
InChIInChI=1S/C13H19N3O/c1-3-12(17)16-9-5-4-6-11(16)13-14-8-7-10(2)15-13/h7-8,11H,3-6,9H2,1-2H3
InChIKeyXAZDHFMYCRAMMS-UHFFFAOYSA-N
XLogP2.25
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 166211162
1-[(2R)-2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95821548
1-[2-[4-methyl-6-(methylamino)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110256042
[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110270750
2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 127246548
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 53338089
1-[(2S)-2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one
CID 92585275
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 70782488
1-(2-pyrazin-2-ylpyrrolidin-1-yl)propan-1-one
CID 73439555
2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid
CID 124954393
2-[4-(hydroxymethyl)pyrimidin-2-yl]pyrrolidine-1-carboxylic acid
CID 137498982
6-methyl-2-[2-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 110103740

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]propan-1-one (CID 73439064) is 1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCCCC1c1nccc(C)n1.
What is the InChIKey of 1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is XAZDHFMYCRAMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-12(17)16-9-5-4-6-11(16)13-14-8-7-10(2)15-13/h7-8,11H,3-6,9H2,1-2H3.
What are the key properties of 1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]propan-1-one?
1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 233.31 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 73439064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).