2-(3-methylphenoxy)-1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone

C23H31N5O2 — CID 122335790

IUPAC2-(3-methylphenoxy)-1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCc1cccc(OCC(=O)N2CCN(c3ccc(N4CCCCC4C)nn3)CC2)c1
InChIInChI=1S/C23H31N5O2/c1-18-6-5-8-20(16-18)30-17-23(29)27-14-12-26(13-15-27)21-9-10-22(25-24-21)28-11-4-3-7-19(28)2/h5-6,8-10,16,19H,3-4,7,11-15,17H2,1-2H3
InChIKeyMOWABEDTGHYWJM-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.89
Rot. Bonds5

About 2-(3-methylphenoxy)-1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone

2-(3-methylphenoxy)-1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 122335790) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenoxy)-1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID122335790
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name2-(3-methylphenoxy)-1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCc1cccc(OCC(=O)N2CCN(c3ccc(N4CCCCC4C)nn3)CC2)c1
InChIInChI=1S/C23H31N5O2/c1-18-6-5-8-20(16-18)30-17-23(29)27-14-12-26(13-15-27)21-9-10-22(25-24-21)28-11-4-3-7-19(28)2/h5-6,8-10,16,19H,3-4,7,11-15,17H2,1-2H3
InChIKeyMOWABEDTGHYWJM-UHFFFAOYSA-N
XLogP2.89
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-methylphenoxy)-1-[4-[6-(2-methylpiperidin-1-yl)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

1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 16883365
(3-methylphenyl)-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053406
1-[4-[6-(2-ethylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
CID 121053530
2-(3-methylphenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058835
1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121053393
2-(3-methylphenoxy)-1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 122333018
1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 108729749
N-(3-methoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335713
1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone
CID 110755902
N-(3,5-dimethylphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335737
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053897
1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate
CID 9156848

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-methylphenoxy)-1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 122335790) is 2-(3-methylphenoxy)-1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylphenoxy)-1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-methylphenoxy)-1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone is Cc1cccc(OCC(=O)N2CCN(c3ccc(N4CCCCC4C)nn3)CC2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is MOWABEDTGHYWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-18-6-5-8-20(16-18)30-17-23(29)27-14-12-26(13-15-27)21-9-10-22(25-24-21)28-11-4-3-7-19(28)2/h5-6,8-10,16,19H,3-4,7,11-15,17H2,1-2H3.
What are the key properties of 2-(3-methylphenoxy)-1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
2-(3-methylphenoxy)-1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 409.53 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-1-[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 122335790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).