6-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-phenylpyridazin-3-one

C23H24N4O2 — CID 120740250

IUPAC6-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-phenylpyridazin-3-one
SMILESCCc1ccc(C2CNCCN2C(=O)c2ccc(=O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H24N4O2/c1-2-17-8-10-18(11-9-17)21-16-24-14-15-26(21)23(29)20-12-13-22(28)27(25-20)19-6-4-3-5-7-19/h3-13,21,24H,2,14-16H2,1H3
InChIKeyXJKWPKXKSASDFA-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.58
Rot. Bonds4

About 6-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-phenylpyridazin-3-one

6-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-phenylpyridazin-3-one (PubChem CID 120740250) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 6-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-phenylpyridazin-3-one
PubChem CID120740250
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name6-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-phenylpyridazin-3-one
SMILESCCc1ccc(C2CNCCN2C(=O)c2ccc(=O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H24N4O2/c1-2-17-8-10-18(11-9-17)21-16-24-14-15-26(21)23(29)20-12-13-22(28)27(25-20)19-6-4-3-5-7-19/h3-13,21,24H,2,14-16H2,1H3
InChIKeyXJKWPKXKSASDFA-UHFFFAOYSA-N
XLogP2.58
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethylphenyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone;hydrochloride
CID 120741702
3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylcinnolin-4-one
CID 120740186
[2-(4-ethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone;hydrochloride
CID 120741434
3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 120740709
(1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone
CID 125020826
[2-(4-ethylphenyl)piperazin-1-yl]-(3-imidazol-1-ylphenyl)methanone
CID 120740821
5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 120741559
3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride
CID 120740205
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride
CID 120741482
[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-phenylpyridazin-3-one?
The IUPAC name of 6-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-phenylpyridazin-3-one (CID 120740250) is 6-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-phenylpyridazin-3-one?
The canonical SMILES for 6-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-phenylpyridazin-3-one is CCc1ccc(C2CNCCN2C(=O)c2ccc(=O)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-phenylpyridazin-3-one?
The InChIKey is XJKWPKXKSASDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-2-17-8-10-18(11-9-17)21-16-24-14-15-26(21)23(29)20-12-13-22(28)27(25-20)19-6-4-3-5-7-19/h3-13,21,24H,2,14-16H2,1H3.
What are the key properties of 6-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-phenylpyridazin-3-one?
6-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-phenylpyridazin-3-one has a molecular weight of 388.47 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-ethylphenyl)piperazine-1-carbonyl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 120740250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).