2-(4-fluorophenoxy)-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]acetamide

C17H19FN4O3 — CID 91924003

IUPAC2-(4-fluorophenoxy)-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]acetamide
SMILESO=C(COc1ccc(F)cc1)NC1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C17H19FN4O3/c18-12-1-3-15(4-2-12)25-11-17(24)20-13-5-7-22(8-6-13)14-9-16(23)21-19-10-14/h1-4,9-10,13H,5-8,11H2,(H,20,24)(H,21,23)
InChIKeyHNEHDXFABYKAGI-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.07
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]acetamide

2-(4-fluorophenoxy)-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]acetamide (PubChem CID 91924003) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]acetamide
PubChem CID91924003
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name2-(4-fluorophenoxy)-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]acetamide
SMILESO=C(COc1ccc(F)cc1)NC1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C17H19FN4O3/c18-12-1-3-15(4-2-12)25-11-17(24)20-13-5-7-22(8-6-13)14-9-16(23)21-19-10-14/h1-4,9-10,13H,5-8,11H2,(H,20,24)(H,21,23)
InChIKeyHNEHDXFABYKAGI-UHFFFAOYSA-N
XLogP1.07
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenoxy)-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]acetamide 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)-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]acetamide (CID 91924003) is 2-(4-fluorophenoxy)-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]acetamide is O=C(COc1ccc(F)cc1)NC1CCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is HNEHDXFABYKAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c18-12-1-3-15(4-2-12)25-11-17(24)20-13-5-7-22(8-6-13)14-9-16(23)21-19-10-14/h1-4,9-10,13H,5-8,11H2,(H,20,24)(H,21,23).
What are the key properties of 2-(4-fluorophenoxy)-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]acetamide?
2-(4-fluorophenoxy)-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 346.36 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 91924003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).