2-(3,4-diethoxyphenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone

C24H33N5O4 — CID 5307138

IUPAC2-(3,4-diethoxyphenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1OCC
InChIInChI=1S/C24H33N5O4/c1-3-32-20-6-5-19(17-21(20)33-4-2)18-24(30)29-11-9-27(10-12-29)22-7-8-23(26-25-22)28-13-15-31-16-14-28/h5-8,17H,3-4,9-16,18H2,1-2H3
InChIKeyPZRJPAJMJNVEPO-UHFFFAOYSA-N
MW455.56 g/mol
LogP2.00
Rot. Bonds8

About 2-(3,4-diethoxyphenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone

2-(3,4-diethoxyphenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone (PubChem CID 5307138) has the molecular formula C24H33N5O4 and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
PubChem CID5307138
Molecular FormulaC24H33N5O4
Molecular Weight455.56 g/mol
Exact Mass455.25
IUPAC Name2-(3,4-diethoxyphenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1OCC
InChIInChI=1S/C24H33N5O4/c1-3-32-20-6-5-19(17-21(20)33-4-2)18-24(30)29-11-9-27(10-12-29)22-7-8-23(26-25-22)28-13-15-31-16-14-28/h5-8,17H,3-4,9-16,18H2,1-2H3
InChIKeyPZRJPAJMJNVEPO-UHFFFAOYSA-N
XLogP2.00
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(3,4-diethoxyphenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-1-[6-(4-morpholinyl)-3-pyridazinyl]-4-piperidinecarboxamide
CID 3245876
(3-Methoxyphenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 7292475
(4-Butoxyphenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 7292477
(3,4-Dimethoxyphenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 7292478
3,4-dimethoxy-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7422452
3,4-diethoxy-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 16800085
1-(4-Methoxyphenyl)-4-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione
CID 5308096
1-[4-(6-Morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 5308484
2-(4-Ethoxyphenyl)-1-(4-(6-(4-fluorophenyl)pyridazin-3-yl)piperazin-1-yl)ethanone
CID 25836649
(4-(6-(3,4-Dimethoxyphenyl)pyridazin-3-yl)piperazin-1-yl)(2-fluorophenyl)methanone
CID 42110692
(2,6-Difluorophenyl)(4-(6-(3,4-dimethoxyphenyl)pyridazin-3-yl)piperazin-1-yl)methanone
CID 42110693
2-(3,4-Dimethoxyphenyl)-1-(4-(6-(2,4-dimethylphenyl)pyridazin-3-yl)piperazin-1-yl)ethanone
CID 42110722

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,4-diethoxyphenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone (CID 5307138) is 2-(3,4-diethoxyphenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone is CCOc1ccc(CC(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is PZRJPAJMJNVEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4/c1-3-32-20-6-5-19(17-21(20)33-4-2)18-24(30)29-11-9-27(10-12-29)22-7-8-23(26-25-22)28-13-15-31-16-14-28/h5-8,17H,3-4,9-16,18H2,1-2H3.
What are the key properties of 2-(3,4-diethoxyphenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
2-(3,4-diethoxyphenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 455.56 g/mol, XLogP of 2.00, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 5307138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).