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

C21H25N3O3 — CID 7935502

IUPACN-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3cccc(C(C)=O)c3)CC2)cc1
InChIInChI=1S/C21H25N3O3/c1-16(25)17-4-3-5-18(14-17)22-21(26)15-23-10-12-24(13-11-23)19-6-8-20(27-2)9-7-19/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)
InChIKeyXYMCXEHGTRMJMD-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.66
Rot. Bonds6

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

N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 7935502) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID7935502
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3cccc(C(C)=O)c3)CC2)cc1
InChIInChI=1S/C21H25N3O3/c1-16(25)17-4-3-5-18(14-17)22-21(26)15-23-10-12-24(13-11-23)19-6-8-20(27-2)9-7-19/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)
InChIKeyXYMCXEHGTRMJMD-UHFFFAOYSA-N
XLogP2.66
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1443713
dimethyl 5-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 22198635
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide
CID 2574328
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 18124601
4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680478
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 1374681
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 17132212
N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 2698418
N-(4-acetamidophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 41312804
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 26382499
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 18126812

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide (CID 7935502) is N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide is COc1ccc(N2CCN(CC(=O)Nc3cccc(C(C)=O)c3)CC2)cc1.
What is the InChIKey of N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is XYMCXEHGTRMJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-16(25)17-4-3-5-18(14-17)22-21(26)15-23-10-12-24(13-11-23)19-6-8-20(27-2)9-7-19/h3-9,14H,10-13,15H2,1-2H3,(H,22,26).
What are the key properties of N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 7935502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).