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

C21H23N3O3 — CID 108515042

IUPACN-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cccc(C)c3)CC2)c1
InChIInChI=1S/C21H23N3O3/c1-15-5-3-8-19(13-15)23-9-11-24(12-10-23)21(27)20(26)22-18-7-4-6-17(14-18)16(2)25/h3-8,13-14H,9-12H2,1-2H3,(H,22,26)
InChIKeyBJPPLSPMRBSJPI-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.48
Rot. Bonds3

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

N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 108515042) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID108515042
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cccc(C)c3)CC2)c1
InChIInChI=1S/C21H23N3O3/c1-15-5-3-8-19(13-15)23-9-11-24(12-10-23)21(27)20(26)22-18-7-4-6-17(14-18)16(2)25/h3-8,13-14H,9-12H2,1-2H3,(H,22,26)
InChIKeyBJPPLSPMRBSJPI-UHFFFAOYSA-N
XLogP2.48
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515725
methyl 3-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzoate
CID 108986079
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 18124601
N-(3-acetylphenyl)-2-oxo-2-piperidin-1-ylacetamide
CID 2194073
N-(2-hydroxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108514363
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
N-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108531247
N-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949450
2-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzamide
CID 108529398
N-(3-acetylphenyl)-4-phenylpiperazine-1-carbothioamide
CID 19654358
4-(4-acetylphenyl)-N-(3-methylphenyl)piperazine-1-carbothioamide
CID 8660392
2-(4-formylpiperazin-1-yl)-N-(3-methylphenyl)-2-oxoacetamide
CID 108515716

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide (CID 108515042) is N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide is CC(=O)c1cccc(NC(=O)C(=O)N2CCN(c3cccc(C)c3)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is BJPPLSPMRBSJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-5-3-8-19(13-15)23-9-11-24(12-10-23)21(27)20(26)22-18-7-4-6-17(14-18)16(2)25/h3-8,13-14H,9-12H2,1-2H3,(H,22,26).
What are the key properties of N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide?
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 365.43 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108515042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).