2-(4-methoxyphenyl)-1-[4-[3-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]ethanone

C25H26N4O4 — CID 134801064

IUPAC2-(4-methoxyphenyl)-1-[4-[3-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN(C(=O)c3cccc(-c4ccc(OC)nn4)c3)CC2)cc1
InChIInChI=1S/C25H26N4O4/c1-32-21-8-6-18(7-9-21)16-24(30)28-12-14-29(15-13-28)25(31)20-5-3-4-19(17-20)22-10-11-23(33-2)27-26-22/h3-11,17H,12-16H2,1-2H3
InChIKeyHQNUQEXMUGDNTG-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.69
Rot. Bonds6

About 2-(4-methoxyphenyl)-1-[4-[3-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]ethanone

2-(4-methoxyphenyl)-1-[4-[3-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]ethanone (PubChem CID 134801064) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[4-[3-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[4-[3-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]ethanone
PubChem CID134801064
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name2-(4-methoxyphenyl)-1-[4-[3-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCN(C(=O)c3cccc(-c4ccc(OC)nn4)c3)CC2)cc1
InChIInChI=1S/C25H26N4O4/c1-32-21-8-6-18(7-9-21)16-24(30)28-12-14-29(15-13-28)25(31)20-5-3-4-19(17-20)22-10-11-23(33-2)27-26-22/h3-11,17H,12-16H2,1-2H3
InChIKeyHQNUQEXMUGDNTG-UHFFFAOYSA-N
XLogP2.69
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-methoxyphenyl)-1-[4-[3-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

[4-[3-(4-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 164610360
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 134800971
N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 134801622
N-[(4-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 134802190
3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 134803949
N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)pyridazine-3-carboxamide
CID 66710466
(3-Fluorophenyl)(4-(6-(4-methoxyphenyl)pyridazin-3-yl)piperazin-1-yl)methanone
CID 25836315
(2,6-Difluorophenyl)(4-(6-(4-methoxyphenyl)pyridazin-3-yl)piperazin-1-yl)methanone
CID 25836317
[4-(6-Methoxypyridazin-3-yl)phenyl]-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 134800809
N-[2-(4-fluorophenyl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 134800856
N-[(2-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 134800900
4-(6-methoxypyridazin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 134801069

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[4-[3-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[4-[3-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]ethanone (CID 134801064) is 2-(4-methoxyphenyl)-1-[4-[3-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[4-[3-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[4-[3-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]ethanone is COc1ccc(CC(=O)N2CCN(C(=O)c3cccc(-c4ccc(OC)nn4)c3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[4-[3-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]ethanone?
The InChIKey is HQNUQEXMUGDNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-32-21-8-6-18(7-9-21)16-24(30)28-12-14-29(15-13-28)25(31)20-5-3-4-19(17-20)22-10-11-23(33-2)27-26-22/h3-11,17H,12-16H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[4-[3-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[4-[3-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]ethanone has a molecular weight of 446.51 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[4-[3-(6-methoxypyridazin-3-yl)benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 134801064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).