6-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one

C18H21N3O2 — CID 5070826

IUPAC6-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)N3CCCCC3)n2)cc1
InChIInChI=1S/C18H21N3O2/c1-14-5-7-15(8-6-14)16-9-10-17(22)21(19-16)13-18(23)20-11-3-2-4-12-20/h5-10H,2-4,11-13H2,1H3
InChIKeyVMYJFVIMGOPPIH-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.23
Rot. Bonds3

About 6-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one

6-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one (PubChem CID 5070826) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one
PubChem CID5070826
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name6-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)N3CCCCC3)n2)cc1
InChIInChI=1S/C18H21N3O2/c1-14-5-7-15(8-6-14)16-9-10-17(22)21(19-16)13-18(23)20-11-3-2-4-12-20/h5-10H,2-4,11-13H2,1H3
InChIKeyVMYJFVIMGOPPIH-UHFFFAOYSA-N
XLogP2.23
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one?
The IUPAC name of 6-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one (CID 5070826) is 6-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one?
The canonical SMILES for 6-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCCCC3)n2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one?
The InChIKey is VMYJFVIMGOPPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14-5-7-15(8-6-14)16-9-10-17(22)21(19-16)13-18(23)20-11-3-2-4-12-20/h5-10H,2-4,11-13H2,1H3.
What are the key properties of 6-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one?
6-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one has a molecular weight of 311.39 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)pyridazin-3-one is sourced from PubChem (CID 5070826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).