2-[(2R,5S)-4-(4-acetylphenyl)-2,5-dimethylpiperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone

C24H36N4O2 — CID 57463779

IUPAC2-[(2R,5S)-4-(4-acetylphenyl)-2,5-dimethylpiperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
SMILESCC(=O)c1ccc(N2C[C@@H](C)N(CC(=O)N3CCN(C4CCC4)CC3)C[C@@H]2C)cc1
InChIInChI=1S/C24H36N4O2/c1-18-16-28(23-9-7-21(8-10-23)20(3)29)19(2)15-27(18)17-24(30)26-13-11-25(12-14-26)22-5-4-6-22/h7-10,18-19,22H,4-6,11-17H2,1-3H3/t18-,19+/m1/s1
InChIKeyPGGZIQLUPGQSAB-MOPGFXCFSA-N
MW412.58 g/mol
LogP2.48
Rot. Bonds5

About 2-[(2R,5S)-4-(4-acetylphenyl)-2,5-dimethylpiperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone

2-[(2R,5S)-4-(4-acetylphenyl)-2,5-dimethylpiperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone (PubChem CID 57463779) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 2-[(2R,5S)-4-(4-acetylphenyl)-2,5-dimethylpiperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(2R,5S)-4-(4-acetylphenyl)-2,5-dimethylpiperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
PubChem CID57463779
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC Name2-[(2R,5S)-4-(4-acetylphenyl)-2,5-dimethylpiperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
SMILESCC(=O)c1ccc(N2C[C@@H](C)N(CC(=O)N3CCN(C4CCC4)CC3)C[C@@H]2C)cc1
InChIInChI=1S/C24H36N4O2/c1-18-16-28(23-9-7-21(8-10-23)20(3)29)19(2)15-27(18)17-24(30)26-13-11-25(12-14-26)22-5-4-6-22/h7-10,18-19,22H,4-6,11-17H2,1-3H3/t18-,19+/m1/s1
InChIKeyPGGZIQLUPGQSAB-MOPGFXCFSA-N
XLogP2.48
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2R,5S)-4-(4-acetylphenyl)-2,5-dimethylpiperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442402
1-(4-acetylphenyl)-4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 57442579
1-(4-acetylphenyl)-4-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 143404316
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338
2-[4-[4-acetyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442657
1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone
CID 43176941
2-[4-[4-(azepane-1-carbonyl)phenyl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442566
1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 143437550
1-[4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)phenyl]ethanone
CID 63150977
1-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]ethanone
CID 20673114
N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-4-methylsulfanylbenzamide
CID 57443212
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-(methyliminomethyl)phenyl]piperazin-1-yl]ethanone
CID 143404331

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-4-(4-acetylphenyl)-2,5-dimethylpiperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(2R,5S)-4-(4-acetylphenyl)-2,5-dimethylpiperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone (CID 57463779) is 2-[(2R,5S)-4-(4-acetylphenyl)-2,5-dimethylpiperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(2R,5S)-4-(4-acetylphenyl)-2,5-dimethylpiperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(2R,5S)-4-(4-acetylphenyl)-2,5-dimethylpiperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone is CC(=O)c1ccc(N2C[C@@H](C)N(CC(=O)N3CCN(C4CCC4)CC3)C[C@@H]2C)cc1.
What is the InChIKey of 2-[(2R,5S)-4-(4-acetylphenyl)-2,5-dimethylpiperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
The InChIKey is PGGZIQLUPGQSAB-MOPGFXCFSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-18-16-28(23-9-7-21(8-10-23)20(3)29)19(2)15-27(18)17-24(30)26-13-11-25(12-14-26)22-5-4-6-22/h7-10,18-19,22H,4-6,11-17H2,1-3H3/t18-,19+/m1/s1.
What are the key properties of 2-[(2R,5S)-4-(4-acetylphenyl)-2,5-dimethylpiperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
2-[(2R,5S)-4-(4-acetylphenyl)-2,5-dimethylpiperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone has a molecular weight of 412.58 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-4-(4-acetylphenyl)-2,5-dimethylpiperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone is sourced from PubChem (CID 57463779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).