3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-1H-pyridazin-6-one

C19H25N3O2 — CID 24993176

IUPAC3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(OC3CCN(C4CCC4)CC3)cc2)=NN1
InChIInChI=1S/C19H25N3O2/c23-19-9-8-18(20-21-19)14-4-6-16(7-5-14)24-17-10-12-22(13-11-17)15-2-1-3-15/h4-7,15,17H,1-3,8-13H2,(H,21,23)
InChIKeyUYWAHPMVNASMBN-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.70
Rot. Bonds4

About 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 24993176) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID24993176
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(OC3CCN(C4CCC4)CC3)cc2)=NN1
InChIInChI=1S/C19H25N3O2/c23-19-9-8-18(20-21-19)14-4-6-16(7-5-14)24-17-10-12-22(13-11-17)15-2-1-3-15/h4-7,15,17H,1-3,8-13H2,(H,21,23)
InChIKeyUYWAHPMVNASMBN-UHFFFAOYSA-N
XLogP2.70
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 24993176) is 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(c2ccc(OC3CCN(C4CCC4)CC3)cc2)=NN1.
What is the InChIKey of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is UYWAHPMVNASMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-19-9-8-18(20-21-19)14-4-6-16(7-5-14)24-17-10-12-22(13-11-17)15-2-1-3-15/h4-7,15,17H,1-3,8-13H2,(H,21,23).
What are the key properties of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 327.43 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 24993176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).