2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one

C21H27N5O4 — CID 52900090

IUPAC2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one
SMILESCOc1ccccc1N1CCN(C(=O)Cn2nc(N3CCOCC3)ccc2=O)CC1
InChIInChI=1S/C21H27N5O4/c1-29-18-5-3-2-4-17(18)23-8-10-25(11-9-23)21(28)16-26-20(27)7-6-19(22-26)24-12-14-30-15-13-24/h2-7H,8-16H2,1H3
InChIKeySCMWSWYBXYVQBE-UHFFFAOYSA-N
MW413.48 g/mol
LogP0.44
Rot. Bonds5

About 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one

2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one (PubChem CID 52900090) has the molecular formula C21H27N5O4 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one
PubChem CID52900090
Molecular FormulaC21H27N5O4
Molecular Weight413.48 g/mol
Exact Mass413.21
IUPAC Name2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one
SMILESCOc1ccccc1N1CCN(C(=O)Cn2nc(N3CCOCC3)ccc2=O)CC1
InChIInChI=1S/C21H27N5O4/c1-29-18-5-3-2-4-17(18)23-8-10-25(11-9-23)21(28)16-26-20(27)7-6-19(22-26)24-12-14-30-15-13-24/h2-7H,8-16H2,1H3
InChIKeySCMWSWYBXYVQBE-UHFFFAOYSA-N
XLogP0.44
TPSA80.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one 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

6-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 53003918
2-[2-(azepan-1-yl)-2-oxoethyl]-6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-one
CID 53023453
6-cyclopropyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122160611
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 53023459
2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one
CID 52901373
6-(2,5-dimethoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121052184
6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 52902771
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
CID 20904102
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53023455
6-(methoxymethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one
CID 51363351
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 35293166

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one (CID 52900090) is 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one is COc1ccccc1N1CCN(C(=O)Cn2nc(N3CCOCC3)ccc2=O)CC1.
What is the InChIKey of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one?
The InChIKey is SCMWSWYBXYVQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4/c1-29-18-5-3-2-4-17(18)23-8-10-25(11-9-23)21(28)16-26-20(27)7-6-19(22-26)24-12-14-30-15-13-24/h2-7H,8-16H2,1H3.
What are the key properties of 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one?
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one has a molecular weight of 413.48 g/mol, XLogP of 0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 52900090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).