5-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one

C18H22N4O4 — CID 91776530

IUPAC5-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCOc1ccc(C(O)C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)cc1
InChIInChI=1S/C18H22N4O4/c1-20-16(23)11-14(12-19-20)21-7-9-22(10-8-21)18(25)17(24)13-3-5-15(26-2)6-4-13/h3-6,11-12,17,24H,7-10H2,1-2H3
InChIKeyFKWJXOYVSHBMMH-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.17
Rot. Bonds4

About 5-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one

5-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 91776530) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID91776530
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name5-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCOc1ccc(C(O)C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)cc1
InChIInChI=1S/C18H22N4O4/c1-20-16(23)11-14(12-19-20)21-7-9-22(10-8-21)18(25)17(24)13-3-5-15(26-2)6-4-13/h3-6,11-12,17,24H,7-10H2,1-2H3
InChIKeyFKWJXOYVSHBMMH-UHFFFAOYSA-N
XLogP0.17
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 110879916
4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide
CID 91924018
N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
CID 171998493
5-[4-(2-cyclopentyl-2-phenylacetyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 91777949
(1,5-dimethylpyrazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51310306
5-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 91828791
2-methyl-5-[4-(4-phenoxybutanoyl)piperazin-1-yl]pyridazin-3-one
CID 91774299
N-[4-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-phenylbutanamide
CID 58258535
N-(4-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203894
2-methyl-5-[4-(2-propan-2-yl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]pyridazin-3-one
CID 72849130
[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 18159287
(2R)-2-hydroxy-2-(4-methoxyphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
CID 95388464

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one (CID 91776530) is 5-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one is COc1ccc(C(O)C(=O)N2CCN(c3cnn(C)c(=O)c3)CC2)cc1.
What is the InChIKey of 5-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is FKWJXOYVSHBMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-20-16(23)11-14(12-19-20)21-7-9-22(10-8-21)18(25)17(24)13-3-5-15(26-2)6-4-13/h3-6,11-12,17,24H,7-10H2,1-2H3.
What are the key properties of 5-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one?
5-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 358.40 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 91776530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).