N-(3-acetamidophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

C21H24N4O4 — CID 44902805

IUPACN-(3-acetamidophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(NC(C)=O)c3)CC2)cc1
InChIInChI=1S/C21H24N4O4/c1-15(26)22-16-4-3-5-17(14-16)23-20(27)21(28)25-12-10-24(11-13-25)18-6-8-19(29-2)9-7-18/h3-9,14H,10-13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyGHSORZXILOAWOQ-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.94
Rot. Bonds4

About N-(3-acetamidophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

N-(3-acetamidophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 44902805) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID44902805
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-(3-acetamidophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(NC(C)=O)c3)CC2)cc1
InChIInChI=1S/C21H24N4O4/c1-15(26)22-16-4-3-5-17(14-16)23-20(27)21(28)25-12-10-24(11-13-25)18-6-8-19(29-2)9-7-18/h3-9,14H,10-13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyGHSORZXILOAWOQ-UHFFFAOYSA-N
XLogP1.94
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44892200
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 44901895
N-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902018
N-(4-ethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902445
N-[3-[[[C-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]phenyl]acetamide
CID 111243191
N-(3-acetamidophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113737
N'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108526491
N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515725
N-[3-[2-[[C-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 111242408
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-naphthalen-2-yl-2-oxoacetamide
CID 108514130
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515042

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (CID 44902805) is N-(3-acetamidophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is COc1ccc(N2CCN(C(=O)C(=O)Nc3cccc(NC(C)=O)c3)CC2)cc1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is GHSORZXILOAWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-15(26)22-16-4-3-5-17(14-16)23-20(27)21(28)25-12-10-24(11-13-25)18-6-8-19(29-2)9-7-18/h3-9,14H,10-13H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-(3-acetamidophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
N-(3-acetamidophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 396.45 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 44902805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).