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

C20H23N3O2 — CID 108515725

IUPACN-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCc1cccc(NC(=O)C(=O)N2CCN(c3cccc(C)c3)CC2)c1
InChIInChI=1S/C20H23N3O2/c1-15-5-3-7-17(13-15)21-19(24)20(25)23-11-9-22(10-12-23)18-8-4-6-16(2)14-18/h3-8,13-14H,9-12H2,1-2H3,(H,21,24)
InChIKeySUHVGVOLGKWGQY-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.59
Rot. Bonds2

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

N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 108515725) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID108515725
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCc1cccc(NC(=O)C(=O)N2CCN(c3cccc(C)c3)CC2)c1
InChIInChI=1S/C20H23N3O2/c1-15-5-3-7-17(13-15)21-19(24)20(25)23-11-9-22(10-12-23)18-8-4-6-16(2)14-18/h3-8,13-14H,9-12H2,1-2H3,(H,21,24)
InChIKeySUHVGVOLGKWGQY-UHFFFAOYSA-N
XLogP2.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515042
methyl 3-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzoate
CID 108986079
N-(2-hydroxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108514363
2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide
CID 108515716
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
2-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzamide
CID 108529398
N-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108531247
N-cyclopentyl-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108506027
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide
CID 108515651
2-(4-benzhydrylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide
CID 44901949
2-(3-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 109004018
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-fluorophenyl)-2-oxoacetamide
CID 44902269

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide (CID 108515725) is N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide is Cc1cccc(NC(=O)C(=O)N2CCN(c3cccc(C)c3)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is SUHVGVOLGKWGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-5-3-7-17(13-15)21-19(24)20(25)23-11-9-22(10-12-23)18-8-4-6-16(2)14-18/h3-8,13-14H,9-12H2,1-2H3,(H,21,24).
What are the key properties of N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide?
N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 337.42 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108515725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).