2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone

C17H20FN3O2 — CID 71926810

IUPAC2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCc1cc(C2CCCN(C(=O)COc3cccc(F)c3)C2)n[nH]1
InChIInChI=1S/C17H20FN3O2/c1-12-8-16(20-19-12)13-4-3-7-21(10-13)17(22)11-23-15-6-2-5-14(18)9-15/h2,5-6,8-9,13H,3-4,7,10-11H2,1H3,(H,19,20)
InChIKeyXHRHCGBGRISGKY-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.64
Rot. Bonds4

About 2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone

2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 71926810) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
PubChem CID71926810
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCc1cc(C2CCCN(C(=O)COc3cccc(F)c3)C2)n[nH]1
InChIInChI=1S/C17H20FN3O2/c1-12-8-16(20-19-12)13-4-3-7-21(10-13)17(22)11-23-15-6-2-5-14(18)9-15/h2,5-6,8-9,13H,3-4,7,10-11H2,1H3,(H,19,20)
InChIKeyXHRHCGBGRISGKY-UHFFFAOYSA-N
XLogP2.64
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone (CID 71926810) is 2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone is Cc1cc(C2CCCN(C(=O)COc3cccc(F)c3)C2)n[nH]1.
What is the InChIKey of 2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is XHRHCGBGRISGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-12-8-16(20-19-12)13-4-3-7-21(10-13)17(22)11-23-15-6-2-5-14(18)9-15/h2,5-6,8-9,13H,3-4,7,10-11H2,1H3,(H,19,20).
What are the key properties of 2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 317.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 71926810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).