3-(3-methyl-4-piperidin-1-ylphenyl)-1H-pyridazin-6-one

C16H19N3O — CID 58254596

IUPAC3-(3-methyl-4-piperidin-1-ylphenyl)-1H-pyridazin-6-one
SMILESCc1cc(-c2ccc(=O)[nH]n2)ccc1N1CCCCC1
InChIInChI=1S/C16H19N3O/c1-12-11-13(14-6-8-16(20)18-17-14)5-7-15(12)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3,(H,18,20)
InChIKeySEZUQQOMATYNAN-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.74
Rot. Bonds2

About 3-(3-methyl-4-piperidin-1-ylphenyl)-1H-pyridazin-6-one

3-(3-methyl-4-piperidin-1-ylphenyl)-1H-pyridazin-6-one (PubChem CID 58254596) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-(3-methyl-4-piperidin-1-ylphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-methyl-4-piperidin-1-ylphenyl)-1H-pyridazin-6-one
PubChem CID58254596
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-(3-methyl-4-piperidin-1-ylphenyl)-1H-pyridazin-6-one
SMILESCc1cc(-c2ccc(=O)[nH]n2)ccc1N1CCCCC1
InChIInChI=1S/C16H19N3O/c1-12-11-13(14-6-8-16(20)18-17-14)5-7-15(12)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3,(H,18,20)
InChIKeySEZUQQOMATYNAN-UHFFFAOYSA-N
XLogP2.74
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-4-piperidin-1-ylphenyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(3-methyl-4-piperidin-1-ylphenyl)-1H-pyridazin-6-one (CID 58254596) is 3-(3-methyl-4-piperidin-1-ylphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-methyl-4-piperidin-1-ylphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-methyl-4-piperidin-1-ylphenyl)-1H-pyridazin-6-one is Cc1cc(-c2ccc(=O)[nH]n2)ccc1N1CCCCC1.
What is the InChIKey of 3-(3-methyl-4-piperidin-1-ylphenyl)-1H-pyridazin-6-one?
The InChIKey is SEZUQQOMATYNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-11-13(14-6-8-16(20)18-17-14)5-7-15(12)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3,(H,18,20).
What are the key properties of 3-(3-methyl-4-piperidin-1-ylphenyl)-1H-pyridazin-6-one?
3-(3-methyl-4-piperidin-1-ylphenyl)-1H-pyridazin-6-one has a molecular weight of 269.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-4-piperidin-1-ylphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 58254596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).