2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide

C20H25N3O2 — CID 863788

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-16-3-5-17(6-4-16)21-20(24)15-22-11-13-23(14-12-22)18-7-9-19(25-2)10-8-18/h3-10H,11-15H2,1-2H3,(H,21,24)
InChIKeyMDKXJSRJJLEHAA-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.76
Rot. Bonds5

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 863788) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID863788
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C20H25N3O2/c1-16-3-5-17(6-4-16)21-20(24)15-22-11-13-23(14-12-22)18-7-9-19(25-2)10-8-18/h3-10H,11-15H2,1-2H3,(H,21,24)
InChIKeyMDKXJSRJJLEHAA-UHFFFAOYSA-N
XLogP2.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 1374681
4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680478
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 18126812
N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 17132212
dimethyl 5-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 22198635
2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2200363
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 9259187
N-(4-methoxyphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3155501
2-[4-(4-methoxyphenyl)piperazin-1-yl]acetohydrazide
CID 2755809
N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 7935502
N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
CID 171998493
2-(4-hydroxypiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 51171901

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide (CID 863788) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide is COc1ccc(N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is MDKXJSRJJLEHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16-3-5-17(6-4-16)21-20(24)15-22-11-13-23(14-12-22)18-7-9-19(25-2)10-8-18/h3-10H,11-15H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 863788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).