3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one

C18H22N4O2 — CID 24992849

IUPAC3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)n[nH]1
InChIInChI=1S/C18H22N4O2/c23-17-6-5-16(20-21-17)13-4-7-18(19-12-13)24-15-8-10-22(11-9-15)14-2-1-3-14/h4-7,12,14-15H,1-3,8-11H2,(H,21,23)
InChIKeyPNDGEZRNHBDFPU-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.23
Rot. Bonds4

About 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one

3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one (PubChem CID 24992849) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one
PubChem CID24992849
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)n[nH]1
InChIInChI=1S/C18H22N4O2/c23-17-6-5-16(20-21-17)13-4-7-18(19-12-13)24-15-8-10-22(11-9-15)14-2-1-3-14/h4-7,12,14-15H,1-3,8-11H2,(H,21,23)
InChIKeyPNDGEZRNHBDFPU-UHFFFAOYSA-N
XLogP2.23
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one (CID 24992849) is 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one is O=c1ccc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)n[nH]1.
What is the InChIKey of 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one?
The InChIKey is PNDGEZRNHBDFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-17-6-5-16(20-21-17)13-4-7-18(19-12-13)24-15-8-10-22(11-9-15)14-2-1-3-14/h4-7,12,14-15H,1-3,8-11H2,(H,21,23).
What are the key properties of 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one?
3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one has a molecular weight of 326.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 24992849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).