2-(2,4-dichlorophenoxy)-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone

C17H18Cl2N4O3 — CID 16883357

IUPAC2-(2,4-dichlorophenoxy)-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)nn1
InChIInChI=1S/C17H18Cl2N4O3/c1-25-16-5-4-15(20-21-16)22-6-8-23(9-7-22)17(24)11-26-14-3-2-12(18)10-13(14)19/h2-5,10H,6-9,11H2,1H3
InChIKeyUODVQFWAMTXHBM-UHFFFAOYSA-N
MW397.26 g/mol
LogP2.52
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone

2-(2,4-dichlorophenoxy)-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone (PubChem CID 16883357) has the molecular formula C17H18Cl2N4O3 and a molecular weight of 397.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone
PubChem CID16883357
Molecular FormulaC17H18Cl2N4O3
Molecular Weight397.26 g/mol
Exact Mass396.08
IUPAC Name2-(2,4-dichlorophenoxy)-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)nn1
InChIInChI=1S/C17H18Cl2N4O3/c1-25-16-5-4-15(20-21-16)22-6-8-23(9-7-22)17(24)11-26-14-3-2-12(18)10-13(14)19/h2-5,10H,6-9,11H2,1H3
InChIKeyUODVQFWAMTXHBM-UHFFFAOYSA-N
XLogP2.52
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dichlorophenoxy)-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 122279289
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 16883364
2-(2,4-dichlorophenoxy)-1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 60603145
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
6-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110420694
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 9013636
2-(2,4-dichlorophenoxy)-1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122345328
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 16883365
2-(2,4-dichlorophenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone
CID 9228398
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110817700
2-(2,4-dichlorophenoxy)-1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 45284150
2-(2,4-dichlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 2304004

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone (CID 16883357) is 2-(2,4-dichlorophenoxy)-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone is COc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)nn1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is UODVQFWAMTXHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O3/c1-25-16-5-4-15(20-21-16)22-6-8-23(9-7-22)17(24)11-26-14-3-2-12(18)10-13(14)19/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone?
2-(2,4-dichlorophenoxy)-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 397.26 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 16883357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).