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

C17H20FN3O2 — CID 71926840

IUPAC2-(4-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCc1cc(C2CCCN(C(=O)COc3ccc(F)cc3)C2)n[nH]1
InChIInChI=1S/C17H20FN3O2/c1-12-9-16(20-19-12)13-3-2-8-21(10-13)17(22)11-23-15-6-4-14(18)5-7-15/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,19,20)
InChIKeyDBYAWHCBRASEGB-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.64
Rot. Bonds4

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

2-(4-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 71926840) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
PubChem CID71926840
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name2-(4-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCc1cc(C2CCCN(C(=O)COc3ccc(F)cc3)C2)n[nH]1
InChIInChI=1S/C17H20FN3O2/c1-12-9-16(20-19-12)13-3-2-8-21(10-13)17(22)11-23-15-6-4-14(18)5-7-15/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,19,20)
InChIKeyDBYAWHCBRASEGB-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

Analyze 2-(4-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone (CID 71926840) is 2-(4-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone is Cc1cc(C2CCCN(C(=O)COc3ccc(F)cc3)C2)n[nH]1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is DBYAWHCBRASEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-12-9-16(20-19-12)13-3-2-8-21(10-13)17(22)11-23-15-6-4-14(18)5-7-15/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,19,20).
What are the key properties of 2-(4-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
2-(4-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-(4-fluorophenoxy)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 71926840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).