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

C21H22N4O2 — CID 2082981

IUPAC2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-cyanophenyl)acetamide
SMILESCC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)cc1
InChIInChI=1S/C21H22N4O2/c1-16(26)18-4-8-20(9-5-18)25-12-10-24(11-13-25)15-21(27)23-19-6-2-17(14-22)3-7-19/h2-9H,10-13,15H2,1H3,(H,23,27)
InChIKeyWZJVMQPNXOTKOX-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.52
Rot. Bonds5

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

2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-cyanophenyl)acetamide (PubChem CID 2082981) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-cyanophenyl)acetamide
PubChem CID2082981
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-cyanophenyl)acetamide
SMILESCC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)cc1
InChIInChI=1S/C21H22N4O2/c1-16(26)18-4-8-20(9-5-18)25-12-10-24(11-13-25)15-21(27)23-19-6-2-17(14-22)3-7-19/h2-9H,10-13,15H2,1H3,(H,23,27)
InChIKeyWZJVMQPNXOTKOX-UHFFFAOYSA-N
XLogP2.52
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 1142120
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 8591755
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
N-(4-acetylphenyl)-2-[4-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]acetamide
CID 71785007
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
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide
CID 2574328
N-(4-cyanophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 30400948
methyl 2-[4-(4-cyanophenyl)piperazin-1-yl]acetate
CID 19391362
N-(4-acetylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196979
N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108956184
N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106669426

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-cyanophenyl)acetamide (CID 2082981) is 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-cyanophenyl)acetamide is CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-cyanophenyl)acetamide?
The InChIKey is WZJVMQPNXOTKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-16(26)18-4-8-20(9-5-18)25-12-10-24(11-13-25)15-21(27)23-19-6-2-17(14-22)3-7-19/h2-9H,10-13,15H2,1H3,(H,23,27).
What are the key properties of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-cyanophenyl)acetamide?
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-cyanophenyl)acetamide has a molecular weight of 362.43 g/mol, XLogP of 2.52, 5 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]-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 2082981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).