1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone

C28H34N6O — CID 57443053

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ccc(-c3ccc4ccccc4c3)nn2)CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C28H34N6O/c35-28(34-18-16-32(17-19-34)25-6-3-7-25)21-31-12-14-33(15-13-31)27-11-10-26(29-30-27)24-9-8-22-4-1-2-5-23(22)20-24/h1-2,4-5,8-11,20,25H,3,6-7,12-19,21H2
InChIKeyJAVRYJIJUYSFFC-UHFFFAOYSA-N
MW470.62 g/mol
LogP3.12
Rot. Bonds5

About 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone

1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone (PubChem CID 57443053) has the molecular formula C28H34N6O and a molecular weight of 470.62 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
PubChem CID57443053
Molecular FormulaC28H34N6O
Molecular Weight470.62 g/mol
Exact Mass470.28
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ccc(-c3ccc4ccccc4c3)nn2)CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C28H34N6O/c35-28(34-18-16-32(17-19-34)25-6-3-7-25)21-31-12-14-33(15-13-31)27-11-10-26(29-30-27)24-9-8-22-4-1-2-5-23(22)20-24/h1-2,4-5,8-11,20,25H,3,6-7,12-19,21H2
InChIKeyJAVRYJIJUYSFFC-UHFFFAOYSA-N
XLogP3.12
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(3-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 57443060
2-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57443035
ethyl 4-[6-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyridazin-3-yl]benzoate
CID 57443180
1-(4-cyclobutylpiperazin-1-yl)-3-[4-[6-(3,4-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]propan-2-one
CID 143404073
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,3-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 57443097
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[6-(2,5-dichlorophenyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 57443103
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone
CID 57443047
[4-[5-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazin-2-yl]phenyl] hypofluorite
CID 58826299
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-[3-(dimethylamino)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone
CID 57443041
3-[5-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazin-2-yl]benzonitrile
CID 57443042
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-[3-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone
CID 57442993
2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 4310270

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone (CID 57443053) is 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone is O=C(CN1CCN(c2ccc(-c3ccc4ccccc4c3)nn2)CC1)N1CCN(C2CCC2)CC1.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is JAVRYJIJUYSFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O/c35-28(34-18-16-32(17-19-34)25-6-3-7-25)21-31-12-14-33(15-13-31)27-11-10-26(29-30-27)24-9-8-22-4-1-2-5-23(22)20-24/h1-2,4-5,8-11,20,25H,3,6-7,12-19,21H2.
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 470.62 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 57443053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).