2-(2,4-difluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone

C17H19F2N3O2 — CID 71926813

IUPAC2-(2,4-difluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCc1cc(C2CCCN(C(=O)COc3ccc(F)cc3F)C2)n[nH]1
InChIInChI=1S/C17H19F2N3O2/c1-11-7-15(21-20-11)12-3-2-6-22(9-12)17(23)10-24-16-5-4-13(18)8-14(16)19/h4-5,7-8,12H,2-3,6,9-10H2,1H3,(H,20,21)
InChIKeyIAHNXUUJYLXYLG-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.78
Rot. Bonds4

About 2-(2,4-difluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone

2-(2,4-difluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 71926813) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
PubChem CID71926813
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name2-(2,4-difluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCc1cc(C2CCCN(C(=O)COc3ccc(F)cc3F)C2)n[nH]1
InChIInChI=1S/C17H19F2N3O2/c1-11-7-15(21-20-11)12-3-2-6-22(9-12)17(23)10-24-16-5-4-13(18)8-14(16)19/h4-5,7-8,12H,2-3,6,9-10H2,1H3,(H,20,21)
InChIKeyIAHNXUUJYLXYLG-UHFFFAOYSA-N
XLogP2.78
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,4-difluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone (CID 71926813) is 2-(2,4-difluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-difluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone is Cc1cc(C2CCCN(C(=O)COc3ccc(F)cc3F)C2)n[nH]1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is IAHNXUUJYLXYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-11-7-15(21-20-11)12-3-2-6-22(9-12)17(23)10-24-16-5-4-13(18)8-14(16)19/h4-5,7-8,12H,2-3,6,9-10H2,1H3,(H,20,21).
What are the key properties of 2-(2,4-difluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
2-(2,4-difluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 335.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 71926813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).