3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one

C21H29N3O2 — CID 24993178

IUPAC3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one
SMILESCC1(C)CC(c2ccc(OC3CCN(C4CCC4)CC3)cc2)=NNC1=O
InChIInChI=1S/C21H29N3O2/c1-21(2)14-19(22-23-20(21)25)15-6-8-17(9-7-15)26-18-10-12-24(13-11-18)16-4-3-5-16/h6-9,16,18H,3-5,10-14H2,1-2H3,(H,23,25)
InChIKeyAUNMHWAGSWQKHU-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.33
Rot. Bonds4

About 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one

3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one (PubChem CID 24993178) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one.

Molecular Properties

Compound Name3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one
PubChem CID24993178
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one
SMILESCC1(C)CC(c2ccc(OC3CCN(C4CCC4)CC3)cc2)=NNC1=O
InChIInChI=1S/C21H29N3O2/c1-21(2)14-19(22-23-20(21)25)15-6-8-17(9-7-15)26-18-10-12-24(13-11-18)16-4-3-5-16/h6-9,16,18H,3-5,10-14H2,1-2H3,(H,23,25)
InChIKeyAUNMHWAGSWQKHU-UHFFFAOYSA-N
XLogP3.33
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.33
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]-5,5-dimethyl-1,4-dihydropyridazin-6-one?
The IUPAC name of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one (CID 24993178) is 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one.
What is the SMILES notation for 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one?
The canonical SMILES for 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one is CC1(C)CC(c2ccc(OC3CCN(C4CCC4)CC3)cc2)=NNC1=O.
What is the InChIKey of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one?
The InChIKey is AUNMHWAGSWQKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-21(2)14-19(22-23-20(21)25)15-6-8-17(9-7-15)26-18-10-12-24(13-11-18)16-4-3-5-16/h6-9,16,18H,3-5,10-14H2,1-2H3,(H,23,25).
What are the key properties of 3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one?
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one has a molecular weight of 355.48 g/mol, XLogP of 3.33, 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]-5,5-dimethyl-1,4-dihydropyridazin-6-one is sourced from PubChem (CID 24993178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).