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

C26H34N4O2 — CID 25336879

IUPAC2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone
SMILESCC(=O)c1ccc(N2CCN(CC(=O)N3CCN([C@H](C)c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C26H34N4O2/c1-21(23-6-4-3-5-7-23)28-16-18-30(19-17-28)26(32)20-27-12-14-29(15-13-27)25-10-8-24(9-11-25)22(2)31/h3-11,21H,12-20H2,1-2H3/t21-/m1/s1
InChIKeyJMHSQMBEUFHRPZ-OAQYLSRUSA-N
MW434.58 g/mol
LogP2.92
Rot. Bonds6

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

2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone (PubChem CID 25336879) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone
PubChem CID25336879
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone
SMILESCC(=O)c1ccc(N2CCN(CC(=O)N3CCN([C@H](C)c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C26H34N4O2/c1-21(23-6-4-3-5-7-23)28-16-18-30(19-17-28)26(32)20-27-12-14-29(15-13-27)25-10-8-24(9-11-25)22(2)31/h3-11,21H,12-20H2,1-2H3/t21-/m1/s1
InChIKeyJMHSQMBEUFHRPZ-OAQYLSRUSA-N
XLogP2.92
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 57442577
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 45353115
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone
CID 143404062
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 9347790
1-(4-benzhydrylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 55411668
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442402
1-[4-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 74813973
2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone
CID 2050848
1-(4-methylphenyl)-2-[4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 69203034
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 25355230
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 8866833
2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2450811

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone (CID 25336879) is 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone is CC(=O)c1ccc(N2CCN(CC(=O)N3CCN([C@H](C)c4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone?
The InChIKey is JMHSQMBEUFHRPZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-21(23-6-4-3-5-7-23)28-16-18-30(19-17-28)26(32)20-27-12-14-29(15-13-27)25-10-8-24(9-11-25)22(2)31/h3-11,21H,12-20H2,1-2H3/t21-/m1/s1.
What are the key properties of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone?
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone has a molecular weight of 434.58 g/mol, XLogP of 2.92, 6 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-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 25336879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).