1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone

C18H19F3N4O2 — CID 90100798

IUPAC1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone
SMILESCc1ncc(C(=O)COc2cccc(C(F)(F)F)n2)c(C2CCNCC2)n1
InChIInChI=1S/C18H19F3N4O2/c1-11-23-9-13(17(24-11)12-5-7-22-8-6-12)14(26)10-27-16-4-2-3-15(25-16)18(19,20)21/h2-4,9,12,22H,5-8,10H2,1H3
InChIKeyOHQLMEPUQIXGQG-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.93
Rot. Bonds5

About 1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone

1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone (PubChem CID 90100798) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone.

Molecular Properties

Compound Name1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone
PubChem CID90100798
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone
SMILESCc1ncc(C(=O)COc2cccc(C(F)(F)F)n2)c(C2CCNCC2)n1
InChIInChI=1S/C18H19F3N4O2/c1-11-23-9-13(17(24-11)12-5-7-22-8-6-12)14(26)10-27-16-4-2-3-15(25-16)18(19,20)21/h2-4,9,12,22H,5-8,10H2,1H3
InChIKeyOHQLMEPUQIXGQG-UHFFFAOYSA-N
XLogP2.93
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone?
The IUPAC name of 1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone (CID 90100798) is 1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone.
What is the SMILES notation for 1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone?
The canonical SMILES for 1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone is Cc1ncc(C(=O)COc2cccc(C(F)(F)F)n2)c(C2CCNCC2)n1.
What is the InChIKey of 1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone?
The InChIKey is OHQLMEPUQIXGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-11-23-9-13(17(24-11)12-5-7-22-8-6-12)14(26)10-27-16-4-2-3-15(25-16)18(19,20)21/h2-4,9,12,22H,5-8,10H2,1H3.
What are the key properties of 1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone?
1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone has a molecular weight of 380.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-piperidin-4-ylpyrimidin-5-yl)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone is sourced from PubChem (CID 90100798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).