3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

C16H20N4O3 — CID 9335607

IUPAC3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccccc1N1CCN(C(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C16H20N4O3/c1-23-14-5-3-2-4-13(14)19-8-10-20(11-9-19)16(22)12-6-7-15(21)18-17-12/h2-5H,6-11H2,1H3,(H,18,21)
InChIKeyYATFRTQHGCKIEP-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.61
Rot. Bonds3

About 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 9335607) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID9335607
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccccc1N1CCN(C(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C16H20N4O3/c1-23-14-5-3-2-4-13(14)19-8-10-20(11-9-19)16(22)12-6-7-15(21)18-17-12/h2-5H,6-11H2,1H3,(H,18,21)
InChIKeyYATFRTQHGCKIEP-UHFFFAOYSA-N
XLogP0.61
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 108741818
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
2-(4-bromophenyl)-6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 4653504
3-[4-(4-methoxy-2,5-dimethylbenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110814682
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053707
(1,5-dimethylpyrazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 51309191
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
3-[4-[2-(2-methylphenoxy)acetyl]-1,4-diazepane-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110809804
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 2557287
(5-hydroxy-3-pyridinyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 110854337
3-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 60958471
3-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110802732

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (CID 9335607) is 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is COc1ccccc1N1CCN(C(=O)C2=NNC(=O)CC2)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is YATFRTQHGCKIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-23-14-5-3-2-4-13(14)19-8-10-20(11-9-19)16(22)12-6-7-15(21)18-17-12/h2-5H,6-11H2,1H3,(H,18,21).
What are the key properties of 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 316.36 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 9335607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).