2-(3,4-dimethoxyphenyl)-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone

C21H28N4O5 — CID 30773941

IUPAC2-(3,4-dimethoxyphenyl)-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCOCCOc1ccc(N2CCN(C(=O)Cc3ccc(OC)c(OC)c3)CC2)nn1
InChIInChI=1S/C21H28N4O5/c1-27-12-13-30-20-7-6-19(22-23-20)24-8-10-25(11-9-24)21(26)15-16-4-5-17(28-2)18(14-16)29-3/h4-7,14H,8-13,15H2,1-3H3
InChIKeyNLPGOOIBTWWFDK-UHFFFAOYSA-N
MW416.48 g/mol
LogP1.41
Rot. Bonds9

About 2-(3,4-dimethoxyphenyl)-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone

2-(3,4-dimethoxyphenyl)-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 30773941) has the molecular formula C21H28N4O5 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID30773941
Molecular FormulaC21H28N4O5
Molecular Weight416.48 g/mol
Exact Mass416.21
IUPAC Name2-(3,4-dimethoxyphenyl)-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCOCCOc1ccc(N2CCN(C(=O)Cc3ccc(OC)c(OC)c3)CC2)nn1
InChIInChI=1S/C21H28N4O5/c1-27-12-13-30-20-7-6-19(22-23-20)24-8-10-25(11-9-24)21(26)15-16-4-5-17(28-2)18(14-16)29-3/h4-7,14H,8-13,15H2,1-3H3
InChIKeyNLPGOOIBTWWFDK-UHFFFAOYSA-N
XLogP1.41
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3,4-dimethoxyphenyl)-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 108741549
2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108741397
1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 30773954
cyclopropyl-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone
CID 30773847
1-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 42110691
2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone chloride
CID 53346891
2-(4-methoxy-3-methylphenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122347434
6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 53081684
4-chloro-1-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]butan-1-one
CID 108570291
2-(4-methoxy-3-methylphenyl)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122342936
(3-bromophenyl)-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]methanone
CID 30773889
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 1108344

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 30773941) is 2-(3,4-dimethoxyphenyl)-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone is COCCOc1ccc(N2CCN(C(=O)Cc3ccc(OC)c(OC)c3)CC2)nn1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is NLPGOOIBTWWFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5/c1-27-12-13-30-20-7-6-19(22-23-20)24-8-10-25(11-9-24)21(26)15-16-4-5-17(28-2)18(14-16)29-3/h4-7,14H,8-13,15H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone?
2-(3,4-dimethoxyphenyl)-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 416.48 g/mol, XLogP of 1.41, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 30773941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).