2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide

C20H22BrN3O2 — CID 2574328

IUPAC2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide
SMILESCC(=O)c1ccc(N2CCN(CC(=O)Nc3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C20H22BrN3O2/c1-15(25)16-5-7-19(8-6-16)24-11-9-23(10-12-24)14-20(26)22-18-4-2-3-17(21)13-18/h2-8,13H,9-12,14H2,1H3,(H,22,26)
InChIKeyKDRMPIPJMLCXDP-UHFFFAOYSA-N
MW416.32 g/mol
LogP3.41
Rot. Bonds5

About 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide

2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide (PubChem CID 2574328) has the molecular formula C20H22BrN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide
PubChem CID2574328
Molecular FormulaC20H22BrN3O2
Molecular Weight416.32 g/mol
Exact Mass415.09
IUPAC Name2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide
SMILESCC(=O)c1ccc(N2CCN(CC(=O)Nc3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C20H22BrN3O2/c1-15(25)16-5-7-19(8-6-16)24-11-9-23(10-12-24)14-20(26)22-18-4-2-3-17(21)13-18/h2-8,13H,9-12,14H2,1H3,(H,22,26)
InChIKeyKDRMPIPJMLCXDP-UHFFFAOYSA-N
XLogP3.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1443713
N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 7935502
N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 2698418
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 18124601
N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 1142120
N-(4-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 1448514
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 1443738
N-(3-bromophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 2124819
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 6466210
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-cyanophenyl)acetamide
CID 2082981
N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086174

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide (CID 2574328) is 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide is CC(=O)c1ccc(N2CCN(CC(=O)Nc3cccc(Br)c3)CC2)cc1.
What is the InChIKey of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide?
The InChIKey is KDRMPIPJMLCXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O2/c1-15(25)16-5-7-19(8-6-16)24-11-9-23(10-12-24)14-20(26)22-18-4-2-3-17(21)13-18/h2-8,13H,9-12,14H2,1H3,(H,22,26).
What are the key properties of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide?
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide has a molecular weight of 416.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 2574328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).