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

C22H30N4O3 — CID 57442579

IUPAC1-(4-acetylphenyl)-4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
SMILESCC(=O)c1ccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2=O)cc1
InChIInChI=1S/C22H30N4O3/c1-17(27)18-5-7-20(8-6-18)26-14-9-23(16-22(26)29)15-21(28)25-12-10-24(11-13-25)19-3-2-4-19/h5-8,19H,2-4,9-16H2,1H3
InChIKeyRJEPCZNJKQCSQT-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.23
Rot. Bonds5

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

1-(4-acetylphenyl)-4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one (PubChem CID 57442579) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name1-(4-acetylphenyl)-4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
PubChem CID57442579
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name1-(4-acetylphenyl)-4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
SMILESCC(=O)c1ccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2=O)cc1
InChIInChI=1S/C22H30N4O3/c1-17(27)18-5-7-20(8-6-18)26-14-9-23(16-22(26)29)15-21(28)25-12-10-24(11-13-25)19-3-2-4-19/h5-8,19H,2-4,9-16H2,1H3
InChIKeyRJEPCZNJKQCSQT-UHFFFAOYSA-N
XLogP1.23
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-acetylphenyl)-4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one with MolForge

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Related Compounds

1-(4-acetylphenyl)-4-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 143404316
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442402
2-[(2R,5S)-4-(4-acetylphenyl)-2,5-dimethylpiperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57463779
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-ethylsulfanylbenzoyl)piperazin-1-yl]ethanone
CID 57442752
2-[4-[4-(azepane-1-carbonyl)phenyl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442566
4-(4-acetylphenyl)-3-oxopiperazine-1-carboxylic acid
CID 91178638
2-[4-[4-acetyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442657
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-(methyliminomethyl)phenyl]piperazin-1-yl]ethanone
CID 143404331
1-(4-cyclopentylpiperazin-1-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 57420589
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 57442462
4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 96580689

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one?
The IUPAC name of 1-(4-acetylphenyl)-4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one (CID 57442579) is 1-(4-acetylphenyl)-4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 1-(4-acetylphenyl)-4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 1-(4-acetylphenyl)-4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one is CC(=O)c1ccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2=O)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one?
The InChIKey is RJEPCZNJKQCSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-17(27)18-5-7-20(8-6-18)26-14-9-23(16-22(26)29)15-21(28)25-12-10-24(11-13-25)19-3-2-4-19/h5-8,19H,2-4,9-16H2,1H3.
What are the key properties of 1-(4-acetylphenyl)-4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one?
1-(4-acetylphenyl)-4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one has a molecular weight of 398.51 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 57442579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).