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

C18H22N4O2 — CID 24992189

IUPAC4-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one
SMILESO=c1cc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)cn[nH]1
InChIInChI=1S/C18H22N4O2/c23-17-10-14(12-20-21-17)13-4-5-18(19-11-13)24-16-6-8-22(9-7-16)15-2-1-3-15/h4-5,10-12,15-16H,1-3,6-9H2,(H,21,23)
InChIKeyBUJFKYNGBTUCJY-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.23
Rot. Bonds4

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

4-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one (PubChem CID 24992189) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one
PubChem CID24992189
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one
SMILESO=c1cc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)cn[nH]1
InChIInChI=1S/C18H22N4O2/c23-17-10-14(12-20-21-17)13-4-5-18(19-11-13)24-16-6-8-22(9-7-16)15-2-1-3-15/h4-5,10-12,15-16H,1-3,6-9H2,(H,21,23)
InChIKeyBUJFKYNGBTUCJY-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 4-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one?
The IUPAC name of 4-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one (CID 24992189) is 4-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one is O=c1cc(-c2ccc(OC3CCN(C4CCC4)CC3)nc2)cn[nH]1.
What is the InChIKey of 4-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one?
The InChIKey is BUJFKYNGBTUCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-17-10-14(12-20-21-17)13-4-5-18(19-11-13)24-16-6-8-22(9-7-16)15-2-1-3-15/h4-5,10-12,15-16H,1-3,6-9H2,(H,21,23).
What are the key properties of 4-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one?
4-[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 4-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 24992189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).