6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one

C27H32N4O4 — CID 53081763

IUPAC6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
SMILESCCOc1ccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)cc1OCC
InChIInChI=1S/C27H32N4O4/c1-5-34-23-10-8-21(18-24(23)35-6-2)27(33)30-15-13-29(14-16-30)25-11-12-26(32)31(28-25)22-9-7-19(3)20(4)17-22/h7-12,17-18H,5-6,13-16H2,1-4H3
InChIKeyXSTKHIAUTZLPGQ-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.61
Rot. Bonds7

About 6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one

6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one (PubChem CID 53081763) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
PubChem CID53081763
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
SMILESCCOc1ccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)cc1OCC
InChIInChI=1S/C27H32N4O4/c1-5-34-23-10-8-21(18-24(23)35-6-2)27(33)30-15-13-29(14-16-30)25-11-12-26(32)31(28-25)22-9-7-19(3)20(4)17-22/h7-12,17-18H,5-6,13-16H2,1-4H3
InChIKeyXSTKHIAUTZLPGQ-UHFFFAOYSA-N
XLogP3.61
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenyl)-6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]pyridazin-3-one
CID 53081894
6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
CID 53081736
2-(3,4-dimethylphenyl)-6-[4-(3-fluoro-4-methylbenzoyl)-1,4-diazepan-1-yl]pyridazin-3-one
CID 53081370
2-(3,4-dimethylphenyl)-6-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pyridazin-3-one
CID 53081364
6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
CID 53081733
6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one
CID 53081376
(3,4-dimethylphenyl)-[4-(4-ethoxyphenyl)piperazin-1-yl]methanone
CID 113077431
2-(3,4-dimethylphenyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridazin-3-one
CID 53081750
(3,4-dimethoxyphenyl)-[4-(3,4-dimethylphenyl)piperazin-1-yl]methanone
CID 991613
4-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 50789234
(4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 86938426
(4-ethoxy-3-methylphenyl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone
CID 86938536

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one?
The IUPAC name of 6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one (CID 53081763) is 6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one?
The canonical SMILES for 6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one is CCOc1ccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccc(C)c(C)c4)n3)CC2)cc1OCC.
What is the InChIKey of 6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one?
The InChIKey is XSTKHIAUTZLPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-5-34-23-10-8-21(18-24(23)35-6-2)27(33)30-15-13-29(14-16-30)25-11-12-26(32)31(28-25)22-9-7-19(3)20(4)17-22/h7-12,17-18H,5-6,13-16H2,1-4H3.
What are the key properties of 6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one?
6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one has a molecular weight of 476.58 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one is sourced from PubChem (CID 53081763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).