2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone

C22H32N4O2 — CID 57442402

IUPAC2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
SMILESCC(=O)c1ccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)cc1
InChIInChI=1S/C22H32N4O2/c1-18(27)19-5-7-21(8-6-19)24-11-9-23(10-12-24)17-22(28)26-15-13-25(14-16-26)20-3-2-4-20/h5-8,20H,2-4,9-17H2,1H3
InChIKeyHSDOFTBBBMJYDO-UHFFFAOYSA-N
MW384.52 g/mol
LogP1.71
Rot. Bonds5

About 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone

2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone (PubChem CID 57442402) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
PubChem CID57442402
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
SMILESCC(=O)c1ccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)cc1
InChIInChI=1S/C22H32N4O2/c1-18(27)19-5-7-21(8-6-19)24-11-9-23(10-12-24)17-22(28)26-15-13-25(14-16-26)20-3-2-4-20/h5-8,20H,2-4,9-17H2,1H3
InChIKeyHSDOFTBBBMJYDO-UHFFFAOYSA-N
XLogP1.71
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(azepane-1-carbonyl)phenyl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442566
1-(4-acetylphenyl)-4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 57442579
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-(methyliminomethyl)phenyl]piperazin-1-yl]ethanone
CID 143404331
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338
1-(4-acetylphenyl)-4-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 143404316
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-pyrimidin-5-ylphenyl)piperazin-1-yl]ethanone
CID 57443163
2-[4-[4-acetyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442657
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 57442462
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone
CID 143404062
1-(4-cyclopentylpiperazin-1-yl)-2-[4-(4-methanimidoylphenyl)piperazin-1-yl]ethanone
CID 148987737
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-[3-(dimethylamino)phenyl]phenyl]piperazin-1-yl]ethanone
CID 58826279
2-[(2R,5S)-4-(4-acetylphenyl)-2,5-dimethylpiperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57463779

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone (CID 57442402) is 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone is CC(=O)c1ccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)cc1.
What is the InChIKey of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
The InChIKey is HSDOFTBBBMJYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-18(27)19-5-7-21(8-6-19)24-11-9-23(10-12-24)17-22(28)26-15-13-25(14-16-26)20-3-2-4-20/h5-8,20H,2-4,9-17H2,1H3.
What are the key properties of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone has a molecular weight of 384.52 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone is sourced from PubChem (CID 57442402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).