6-(4-methoxyphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydropyridazin-3-one

C16H22N4O2 — CID 46703014

IUPAC6-(4-methoxyphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(C2=NN(CN3CCNCC3)C(=O)CC2)cc1
InChIInChI=1S/C16H22N4O2/c1-22-14-4-2-13(3-5-14)15-6-7-16(21)20(18-15)12-19-10-8-17-9-11-19/h2-5,17H,6-12H2,1H3
InChIKeyJIEULHFKIHBLIX-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.88
Rot. Bonds4

About 6-(4-methoxyphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydropyridazin-3-one

6-(4-methoxyphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydropyridazin-3-one (PubChem CID 46703014) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydropyridazin-3-one
PubChem CID46703014
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name6-(4-methoxyphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(C2=NN(CN3CCNCC3)C(=O)CC2)cc1
InChIInChI=1S/C16H22N4O2/c1-22-14-4-2-13(3-5-14)15-6-7-16(21)20(18-15)12-19-10-8-17-9-11-19/h2-5,17H,6-12H2,1H3
InChIKeyJIEULHFKIHBLIX-UHFFFAOYSA-N
XLogP0.88
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 16000066
4-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 57395872
4-[2-Acetylamino-3-(4-methoxy-phenyl)-propionyl]-piperazine-1-carboxylic acid diisopropylamide
CID 645981
3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-phenylethyl)propanamide
CID 16003215
2-[3-(4-Methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]-N-(2-phenylethyl)acetamide
CID 16034266
N-[3-[butyl(methyl)amino]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 16034282
N-cycloheptyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
CID 24789946
3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylcyclohexyl)propanamide
CID 24792841
6-(4-Methoxyphenyl)-2-(piperidin-1-ylmethyl)-4,5-dihydropyridazin-3-one
CID 12410698
N-[3-(diethylamino)propyl]-2-[3-(4-methoxyphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 16034270
3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 44514267
6-(4-Methoxyphenyl)-2-(morpholin-4-ylmethyl)-4,5-dihydropyridazin-3-one
CID 46702858

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-methoxyphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydropyridazin-3-one (CID 46703014) is 6-(4-methoxyphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-methoxyphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydropyridazin-3-one is COc1ccc(C2=NN(CN3CCNCC3)C(=O)CC2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The InChIKey is JIEULHFKIHBLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-22-14-4-2-13(3-5-14)15-6-7-16(21)20(18-15)12-19-10-8-17-9-11-19/h2-5,17H,6-12H2,1H3.
What are the key properties of 6-(4-methoxyphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydropyridazin-3-one?
6-(4-methoxyphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydropyridazin-3-one has a molecular weight of 302.38 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-(piperazin-1-ylmethyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 46703014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).