1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-ylethanone

C22H24N4O2 — CID 16883527

IUPAC1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-ylethanone
SMILESCCOc1ccc(N2CCN(C(=O)Cc3cccc4ccccc34)CC2)nn1
InChIInChI=1S/C22H24N4O2/c1-2-28-21-11-10-20(23-24-21)25-12-14-26(15-13-25)22(27)16-18-8-5-7-17-6-3-4-9-19(17)18/h3-11H,2,12-16H2,1H3
InChIKeyMOYSKXOSMQPQCR-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.92
Rot. Bonds5

About 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-ylethanone

1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-ylethanone (PubChem CID 16883527) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-ylethanone
PubChem CID16883527
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-ylethanone
SMILESCCOc1ccc(N2CCN(C(=O)Cc3cccc4ccccc34)CC2)nn1
InChIInChI=1S/C22H24N4O2/c1-2-28-21-11-10-20(23-24-21)25-12-14-26(15-13-25)22(27)16-18-8-5-7-17-6-3-4-9-19(17)18/h3-11H,2,12-16H2,1H3
InChIKeyMOYSKXOSMQPQCR-UHFFFAOYSA-N
XLogP2.92
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 16883530
1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 16883534
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 122339228
(2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883472
2-naphthalen-1-yl-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone
CID 126853257
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 16883280
2-naphthalen-1-yl-1-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122343780
2-(2-chlorophenyl)-1-[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]ethanone
CID 133464156
[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 16883464
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
N-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide
CID 155952713
1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 122340264

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-ylethanone?
The IUPAC name of 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-ylethanone (CID 16883527) is 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-ylethanone is CCOc1ccc(N2CCN(C(=O)Cc3cccc4ccccc34)CC2)nn1.
What is the InChIKey of 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-ylethanone?
The InChIKey is MOYSKXOSMQPQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-2-28-21-11-10-20(23-24-21)25-12-14-26(15-13-25)22(27)16-18-8-5-7-17-6-3-4-9-19(17)18/h3-11H,2,12-16H2,1H3.
What are the key properties of 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-ylethanone?
1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-ylethanone has a molecular weight of 376.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-ylethanone is sourced from PubChem (CID 16883527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).