2-ethoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone

C15H19F3N2O3 — CID 71798720

IUPAC2-ethoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C15H19F3N2O3/c1-2-22-10-14(21)20-7-5-12(6-8-20)23-13-4-3-11(9-19-13)15(16,17)18/h3-4,9,12H,2,5-8,10H2,1H3
InChIKeyXVTJBIDZTBWSJG-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.51
Rot. Bonds5

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

2-ethoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone (PubChem CID 71798720) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 2-ethoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone
PubChem CID71798720
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name2-ethoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C15H19F3N2O3/c1-2-22-10-14(21)20-7-5-12(6-8-20)23-13-4-3-11(9-19-13)15(16,17)18/h3-4,9,12H,2,5-8,10H2,1H3
InChIKeyXVTJBIDZTBWSJG-UHFFFAOYSA-N
XLogP2.51
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Piperidin-4-yloxy)-5-(trifluoromethyl)pyridine
CID 18357169
2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 623308
N-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 936563
Morpholine-4-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635512
2,6-Dimethyl-morpholine-4-carboxylic acid 4-(5-trifluoromethylpyridin-2-yloxy)-phenyl ester
CID 23635513
N-[[2-(2-fluoroethoxy)-3-pyridinyl]methyl]-N-(2-phenoxyphenyl)acetamide
CID 58029252
2-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-N-(2-phenoxyphenyl)acetamide
CID 58029278
US11045457, Example 110
CID 146401856
US11045457, Example 33
CID 146422009
2-Methyl-4-pyridin-3-ylmethyl-4H-benzo[1,4]oxazin-3-one
CID 655824
2-(4-Ethylphenoxy)-1-{4-[2-(pyridin-4-YL)ethyl]piperazin-1-YL}ethan-1-one
CID 16015732
2-fluoro-N-(5-fluoro-2-phenoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 70695166

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone (CID 71798720) is 2-ethoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone is CCOCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-ethoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
The InChIKey is XVTJBIDZTBWSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-2-22-10-14(21)20-7-5-12(6-8-20)23-13-4-3-11(9-19-13)15(16,17)18/h3-4,9,12H,2,5-8,10H2,1H3.
What are the key properties of 2-ethoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone?
2-ethoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone has a molecular weight of 332.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 71798720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).