2-(4-acetylphenoxy)-1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]ethanone

C21H24N4O3 — CID 122279318

IUPAC2-(4-acetylphenoxy)-1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCC(=O)c1ccc(OCC(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1
InChIInChI=1S/C21H24N4O3/c1-15(26)16-4-6-18(7-5-16)28-14-21(27)25-12-10-24(11-13-25)20-9-8-19(22-23-20)17-2-3-17/h4-9,17H,2-3,10-14H2,1H3
InChIKeyTULNKNTUHQBGGU-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.28
Rot. Bonds6

About 2-(4-acetylphenoxy)-1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]ethanone

2-(4-acetylphenoxy)-1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]ethanone (PubChem CID 122279318) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]ethanone
PubChem CID122279318
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-(4-acetylphenoxy)-1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCC(=O)c1ccc(OCC(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1
InChIInChI=1S/C21H24N4O3/c1-15(26)16-4-6-18(7-5-16)28-14-21(27)25-12-10-24(11-13-25)20-9-8-19(22-23-20)17-2-3-17/h4-9,17H,2-3,10-14H2,1H3
InChIKeyTULNKNTUHQBGGU-UHFFFAOYSA-N
XLogP2.28
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenoxy)-1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122279224
2-(4-methoxyphenoxy)-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122334342
1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 122279289
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 122279228
2-(4-fluorophenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 110727442
cyclopropyl-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279215
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 8866833
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122334054
6-[4-(2-phenoxyacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971618
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone
CID 122279226
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 122279552
2-(4-methylphenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122345868

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-acetylphenoxy)-1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]ethanone (CID 122279318) is 2-(4-acetylphenoxy)-1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-acetylphenoxy)-1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-acetylphenoxy)-1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]ethanone is CC(=O)c1ccc(OCC(=O)N2CCN(c3ccc(C4CC4)nn3)CC2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is TULNKNTUHQBGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-15(26)16-4-6-18(7-5-16)28-14-21(27)25-12-10-24(11-13-25)20-9-8-19(22-23-20)17-2-3-17/h4-9,17H,2-3,10-14H2,1H3.
What are the key properties of 2-(4-acetylphenoxy)-1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]ethanone?
2-(4-acetylphenoxy)-1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 380.45 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 122279318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).