2-ethoxy-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone

C13H18FN3O3 — CID 122258300

IUPAC2-ethoxy-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H18FN3O3/c1-2-19-9-12(18)17-5-3-4-11(8-17)20-13-15-6-10(14)7-16-13/h6-7,11H,2-5,8-9H2,1H3
InChIKeyMJSJBFNAZCSECQ-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.02
Rot. Bonds5

About 2-ethoxy-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone

2-ethoxy-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone (PubChem CID 122258300) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-ethoxy-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
PubChem CID122258300
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name2-ethoxy-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H18FN3O3/c1-2-19-9-12(18)17-5-3-4-11(8-17)20-13-15-6-10(14)7-16-13/h6-7,11H,2-5,8-9H2,1H3
InChIKeyMJSJBFNAZCSECQ-UHFFFAOYSA-N
XLogP1.02
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone (CID 122258300) is 2-ethoxy-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone is CCOCC(=O)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of 2-ethoxy-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone?
The InChIKey is MJSJBFNAZCSECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c1-2-19-9-12(18)17-5-3-4-11(8-17)20-13-15-6-10(14)7-16-13/h6-7,11H,2-5,8-9H2,1H3.
What are the key properties of 2-ethoxy-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone?
2-ethoxy-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone has a molecular weight of 283.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone is sourced from PubChem (CID 122258300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).