2-(3,5-dimethylphenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-one

C20H26N4O2 — CID 121060531

IUPAC2-(3,5-dimethylphenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-one
SMILESCc1cc(C)cc(OC(C)C(=O)N2CCN(c3ccc(C)nn3)CC2)c1
InChIInChI=1S/C20H26N4O2/c1-14-11-15(2)13-18(12-14)26-17(4)20(25)24-9-7-23(8-10-24)19-6-5-16(3)21-22-19/h5-6,11-13,17H,7-10H2,1-4H3
InChIKeyPMQFQTDFHZOUGT-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.52
Rot. Bonds4

About 2-(3,5-dimethylphenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-one

2-(3,5-dimethylphenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-one (PubChem CID 121060531) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-one
PubChem CID121060531
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-(3,5-dimethylphenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-one
SMILESCc1cc(C)cc(OC(C)C(=O)N2CCN(c3ccc(C)nn3)CC2)c1
InChIInChI=1S/C20H26N4O2/c1-14-11-15(2)13-18(12-14)26-17(4)20(25)24-9-7-23(8-10-24)19-6-5-16(3)21-22-19/h5-6,11-13,17H,7-10H2,1-4H3
InChIKeyPMQFQTDFHZOUGT-UHFFFAOYSA-N
XLogP2.52
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylphenoxy)-1-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 90539426
(2S)-2-(3,5-dimethylphenoxy)-1-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propan-1-one
CID 51526576
(2R)-2-phenoxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 7292366
1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 16822756
2-phenoxy-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 71799914
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 121060568
1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-2-(3-methylphenoxy)propan-1-one
CID 121059887
1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 122279328
(2R)-1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxypropan-1-one
CID 95380224
2-phenoxy-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058263
2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060337
2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 52992436

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(3,5-dimethylphenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-one (CID 121060531) is 2-(3,5-dimethylphenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-one is Cc1cc(C)cc(OC(C)C(=O)N2CCN(c3ccc(C)nn3)CC2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
The InChIKey is PMQFQTDFHZOUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-11-15(2)13-18(12-14)26-17(4)20(25)24-9-7-23(8-10-24)19-6-5-16(3)21-22-19/h5-6,11-13,17H,7-10H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-one?
2-(3,5-dimethylphenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-one has a molecular weight of 354.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 121060531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).