2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone

C18H26N4O2 — CID 143404062

IUPAC2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone
SMILESCC(=O)c1ccc(N2CCN(CC(=O)N3CCNCC3)CC2)cc1
InChIInChI=1S/C18H26N4O2/c1-15(23)16-2-4-17(5-3-16)21-12-10-20(11-13-21)14-18(24)22-8-6-19-7-9-22/h2-5,19H,6-14H2,1H3
InChIKeyOXKMRYQFZQQYBM-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.44
Rot. Bonds4

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

2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone (PubChem CID 143404062) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone
PubChem CID143404062
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone
SMILESCC(=O)c1ccc(N2CCN(CC(=O)N3CCNCC3)CC2)cc1
InChIInChI=1S/C18H26N4O2/c1-15(23)16-2-4-17(5-3-16)21-12-10-20(11-13-21)14-18(24)22-8-6-19-7-9-22/h2-5,19H,6-14H2,1H3
InChIKeyOXKMRYQFZQQYBM-UHFFFAOYSA-N
XLogP0.44
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone with MolForge

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Related Compounds

ethane;1-(4-piperazin-1-ylphenyl)ethanone
CID 142085748
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 57442577
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442402
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone
CID 25336879
1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone
CID 783727
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-bromoethanone
CID 63681378
1-[4-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 74813973
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416
1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one
CID 61252118
1-[4-[4-(3-methylbut-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 39975587
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone (CID 143404062) is 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone is CC(=O)c1ccc(N2CCN(CC(=O)N3CCNCC3)CC2)cc1.
What is the InChIKey of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone?
The InChIKey is OXKMRYQFZQQYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-15(23)16-2-4-17(5-3-16)21-12-10-20(11-13-21)14-18(24)22-8-6-19-7-9-22/h2-5,19H,6-14H2,1H3.
What are the key properties of 2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone?
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone has a molecular weight of 330.43 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 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-piperazin-1-ylethanone is sourced from PubChem (CID 143404062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).