(2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone

C18H22N4O3 — CID 16883306

IUPAC(2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCN(c2ccc(OC)nn2)CC1
InChIInChI=1S/C18H22N4O3/c1-3-25-15-7-5-4-6-14(15)18(23)22-12-10-21(11-13-22)16-8-9-17(24-2)20-19-16/h4-9H,3,10-13H2,1-2H3
InChIKeySLUYCAKSXFXYSK-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.85
Rot. Bonds5

About (2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone

(2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 16883306) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID16883306
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCN(c2ccc(OC)nn2)CC1
InChIInChI=1S/C18H22N4O3/c1-3-25-15-7-5-4-6-14(15)18(23)22-12-10-21(11-13-22)16-8-9-17(24-2)20-19-16/h4-9H,3,10-13H2,1-2H3
InChIKeySLUYCAKSXFXYSK-UHFFFAOYSA-N
XLogP1.85
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883472
(2-bromophenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883324
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate
CID 16883423
[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 16883464
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 16883364
[4-(2-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 27535905
[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 16883350
furan-2-yl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883392
[4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 844183
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 16883280
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 134062153

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone (CID 16883306) is (2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone is CCOc1ccccc1C(=O)N1CCN(c2ccc(OC)nn2)CC1.
What is the InChIKey of (2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is SLUYCAKSXFXYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-25-15-7-5-4-6-14(15)18(23)22-12-10-21(11-13-22)16-8-9-17(24-2)20-19-16/h4-9H,3,10-13H2,1-2H3.
What are the key properties of (2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone?
(2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 16883306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).