2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone

C21H27N5O3 — CID 122335212

IUPAC2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCc1ccccc1OCC(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C21H27N5O3/c1-17-4-2-3-5-18(17)29-16-21(27)26-10-8-24(9-11-26)19-6-7-20(23-22-19)25-12-14-28-15-13-25/h2-7H,8-16H2,1H3
InChIKeyGVQUNRWNRJCEFZ-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.35
Rot. Bonds5

About 2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone

2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone (PubChem CID 122335212) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
PubChem CID122335212
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCc1ccccc1OCC(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C21H27N5O3/c1-17-4-2-3-5-18(17)29-16-21(27)26-10-8-24(9-11-26)19-6-7-20(23-22-19)25-12-14-28-15-13-25/h2-7H,8-16H2,1H3
InChIKeyGVQUNRWNRJCEFZ-UHFFFAOYSA-N
XLogP1.35
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 16883364
2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122338976
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 35376587
2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108741413
(2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292470
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 2669189
2-(2-fluorophenoxy)-1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122334635
ethyl 4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 807890
2-(2-methylphenoxy)-1-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122339470
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 70703856
2-(2,3-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 934031
3-[(2-methylphenyl)methylsulfonyl]-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 3244124

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone (CID 122335212) is 2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone is Cc1ccccc1OCC(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1.
What is the InChIKey of 2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is GVQUNRWNRJCEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-17-4-2-3-5-18(17)29-16-21(27)26-10-8-24(9-11-26)19-6-7-20(23-22-19)25-12-14-28-15-13-25/h2-7H,8-16H2,1H3.
What are the key properties of 2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 397.48 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 122335212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).