2-(2-fluorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone

C17H18FN3O3 — CID 91627666

IUPAC2-(2-fluorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone
SMILESO=C(COc1ccccc1F)N1CCCC(Oc2cccnn2)C1
InChIInChI=1S/C17H18FN3O3/c18-14-6-1-2-7-15(14)23-12-17(22)21-10-4-5-13(11-21)24-16-8-3-9-19-20-16/h1-3,6-9,13H,4-5,10-12H2
InChIKeyGKMITSNFKKBHAQ-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.06
Rot. Bonds5

About 2-(2-fluorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone

2-(2-fluorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone (PubChem CID 91627666) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone
PubChem CID91627666
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name2-(2-fluorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone
SMILESO=C(COc1ccccc1F)N1CCCC(Oc2cccnn2)C1
InChIInChI=1S/C17H18FN3O3/c18-14-6-1-2-7-15(14)23-12-17(22)21-10-4-5-13(11-21)24-16-8-3-9-19-20-16/h1-3,6-9,13H,4-5,10-12H2
InChIKeyGKMITSNFKKBHAQ-UHFFFAOYSA-N
XLogP2.06
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-fluorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone (CID 91627666) is 2-(2-fluorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone is O=C(COc1ccccc1F)N1CCCC(Oc2cccnn2)C1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone?
The InChIKey is GKMITSNFKKBHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c18-14-6-1-2-7-15(14)23-12-17(22)21-10-4-5-13(11-21)24-16-8-3-9-19-20-16/h1-3,6-9,13H,4-5,10-12H2.
What are the key properties of 2-(2-fluorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone?
2-(2-fluorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone has a molecular weight of 331.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-(3-pyridazin-3-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 91627666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).