2-phenyl-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone

C17H19N3O2 — CID 71799360

IUPAC2-phenyl-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone
SMILESO=C(Cc1ccccc1)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C17H19N3O2/c21-17(13-14-5-2-1-3-6-14)20-11-8-15(9-12-20)22-16-7-4-10-18-19-16/h1-7,10,15H,8-9,11-13H2
InChIKeyZNZRATUOQGXWCJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.09
Rot. Bonds4

About 2-phenyl-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone

2-phenyl-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone (PubChem CID 71799360) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-phenyl-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone
PubChem CID71799360
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-phenyl-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone
SMILESO=C(Cc1ccccc1)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C17H19N3O2/c21-17(13-14-5-2-1-3-6-14)20-11-8-15(9-12-20)22-16-7-4-10-18-19-16/h1-7,10,15H,8-9,11-13H2
InChIKeyZNZRATUOQGXWCJ-UHFFFAOYSA-N
XLogP2.09
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-phenyl-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone (CID 71799360) is 2-phenyl-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-phenyl-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-phenyl-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone is O=C(Cc1ccccc1)N1CCC(Oc2cccnn2)CC1.
What is the InChIKey of 2-phenyl-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone?
The InChIKey is ZNZRATUOQGXWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(13-14-5-2-1-3-6-14)20-11-8-15(9-12-20)22-16-7-4-10-18-19-16/h1-7,10,15H,8-9,11-13H2.
What are the key properties of 2-phenyl-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone?
2-phenyl-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone has a molecular weight of 297.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 71799360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).