1-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)ethanone

C12H17N3O — CID 667141

IUPAC1-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)ethanone
SMILESCC(=O)c1cnc(N2CCCCC2)nc1C
InChIInChI=1S/C12H17N3O/c1-9-11(10(2)16)8-13-12(14-9)15-6-4-3-5-7-15/h8H,3-7H2,1-2H3
InChIKeySLSFPTLEGUHGCR-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.98
Rot. Bonds2

About 1-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)ethanone

1-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)ethanone (PubChem CID 667141) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)ethanone
PubChem CID667141
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)ethanone
SMILESCC(=O)c1cnc(N2CCCCC2)nc1C
InChIInChI=1S/C12H17N3O/c1-9-11(10(2)16)8-13-12(14-9)15-6-4-3-5-7-15/h8H,3-7H2,1-2H3
InChIKeySLSFPTLEGUHGCR-UHFFFAOYSA-N
XLogP1.98
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)ethanone?
The IUPAC name of 1-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)ethanone (CID 667141) is 1-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)ethanone?
The canonical SMILES for 1-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)ethanone is CC(=O)c1cnc(N2CCCCC2)nc1C.
What is the InChIKey of 1-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)ethanone?
The InChIKey is SLSFPTLEGUHGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-11(10(2)16)8-13-12(14-9)15-6-4-3-5-7-15/h8H,3-7H2,1-2H3.
What are the key properties of 1-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)ethanone?
1-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)ethanone has a molecular weight of 219.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)ethanone is sourced from PubChem (CID 667141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).