1-(4-benzylpiperazin-1-yl)-2-[(6-phenylpyridazin-3-yl)amino]ethanone

C23H25N5O — CID 10894371

IUPAC1-(4-benzylpiperazin-1-yl)-2-[(6-phenylpyridazin-3-yl)amino]ethanone
SMILESO=C(CNc1ccc(-c2ccccc2)nn1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H25N5O/c29-23(28-15-13-27(14-16-28)18-19-7-3-1-4-8-19)17-24-22-12-11-21(25-26-22)20-9-5-2-6-10-20/h1-12H,13-18H2,(H,24,26)
InChIKeyOOAIQCZQUDBGQS-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.90
Rot. Bonds6

About 1-(4-benzylpiperazin-1-yl)-2-[(6-phenylpyridazin-3-yl)amino]ethanone

1-(4-benzylpiperazin-1-yl)-2-[(6-phenylpyridazin-3-yl)amino]ethanone (PubChem CID 10894371) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-[(6-phenylpyridazin-3-yl)amino]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-[(6-phenylpyridazin-3-yl)amino]ethanone
PubChem CID10894371
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-[(6-phenylpyridazin-3-yl)amino]ethanone
SMILESO=C(CNc1ccc(-c2ccccc2)nn1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H25N5O/c29-23(28-15-13-27(14-16-28)18-19-7-3-1-4-8-19)17-24-22-12-11-21(25-26-22)20-9-5-2-6-10-20/h1-12H,13-18H2,(H,24,26)
InChIKeyOOAIQCZQUDBGQS-UHFFFAOYSA-N
XLogP2.90
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
CID 109002094
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 109002032
2-(4-acetylanilino)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002057
(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866604
2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone
CID 55345495
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-2-anilinoethanone
CID 68841046
1-(4-benzylpiperazin-1-yl)-2-(2,3-dimethylanilino)ethanone
CID 109002020
1-(4-benzylpiperazin-1-yl)-2-(butan-2-ylamino)ethanone
CID 60684325
methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112993880
methyl 4-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]amino]benzoate
CID 109002062

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[(6-phenylpyridazin-3-yl)amino]ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[(6-phenylpyridazin-3-yl)amino]ethanone (CID 10894371) is 1-(4-benzylpiperazin-1-yl)-2-[(6-phenylpyridazin-3-yl)amino]ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-[(6-phenylpyridazin-3-yl)amino]ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-[(6-phenylpyridazin-3-yl)amino]ethanone is O=C(CNc1ccc(-c2ccccc2)nn1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-[(6-phenylpyridazin-3-yl)amino]ethanone?
The InChIKey is OOAIQCZQUDBGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c29-23(28-15-13-27(14-16-28)18-19-7-3-1-4-8-19)17-24-22-12-11-21(25-26-22)20-9-5-2-6-10-20/h1-12H,13-18H2,(H,24,26).
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-[(6-phenylpyridazin-3-yl)amino]ethanone?
1-(4-benzylpiperazin-1-yl)-2-[(6-phenylpyridazin-3-yl)amino]ethanone has a molecular weight of 387.49 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-[(6-phenylpyridazin-3-yl)amino]ethanone is sourced from PubChem (CID 10894371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).