2-(5,6-dimethylpyridazin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone

C14H21N3O2 — CID 56782716

IUPAC2-(5,6-dimethylpyridazin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1cc(OCC(=O)N2CCC(C)CC2)nnc1C
InChIInChI=1S/C14H21N3O2/c1-10-4-6-17(7-5-10)14(18)9-19-13-8-11(2)12(3)15-16-13/h8,10H,4-7,9H2,1-3H3
InChIKeyVABWSTQXCIXQQP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.73
Rot. Bonds3

About 2-(5,6-dimethylpyridazin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone

2-(5,6-dimethylpyridazin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 56782716) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(5,6-dimethylpyridazin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5,6-dimethylpyridazin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID56782716
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(5,6-dimethylpyridazin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1cc(OCC(=O)N2CCC(C)CC2)nnc1C
InChIInChI=1S/C14H21N3O2/c1-10-4-6-17(7-5-10)14(18)9-19-13-8-11(2)12(3)15-16-13/h8,10H,4-7,9H2,1-3H3
InChIKeyVABWSTQXCIXQQP-UHFFFAOYSA-N
XLogP1.73
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylpyridazin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(5,6-dimethylpyridazin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone (CID 56782716) is 2-(5,6-dimethylpyridazin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(5,6-dimethylpyridazin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(5,6-dimethylpyridazin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone is Cc1cc(OCC(=O)N2CCC(C)CC2)nnc1C.
What is the InChIKey of 2-(5,6-dimethylpyridazin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is VABWSTQXCIXQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-4-6-17(7-5-10)14(18)9-19-13-8-11(2)12(3)15-16-13/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 2-(5,6-dimethylpyridazin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone?
2-(5,6-dimethylpyridazin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 263.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylpyridazin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 56782716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).