2-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzamide

C20H22N4O3 — CID 108529398

IUPAC2-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzamide
SMILESCc1cccc(N2CCN(C(=O)C(=O)Nc3ccccc3C(N)=O)CC2)c1
InChIInChI=1S/C20H22N4O3/c1-14-5-4-6-15(13-14)23-9-11-24(12-10-23)20(27)19(26)22-17-8-3-2-7-16(17)18(21)25/h2-8,13H,9-12H2,1H3,(H2,21,25)(H,22,26)
InChIKeyKTNFRAAOHNSTNB-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.38
Rot. Bonds3

About 2-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzamide

2-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzamide (PubChem CID 108529398) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzamide
PubChem CID108529398
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzamide
SMILESCc1cccc(N2CCN(C(=O)C(=O)Nc3ccccc3C(N)=O)CC2)c1
InChIInChI=1S/C20H22N4O3/c1-14-5-4-6-15(13-14)23-9-11-24(12-10-23)20(27)19(26)22-17-8-3-2-7-16(17)18(21)25/h2-8,13H,9-12H2,1H3,(H2,21,25)(H,22,26)
InChIKeyKTNFRAAOHNSTNB-UHFFFAOYSA-N
XLogP1.38
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108514363
N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515725
2-[[2-(4-ethylpiperazin-1-yl)-2-oxoacetyl]amino]benzamide
CID 108529326
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515042
N-(2-hydroxy-5-methylphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108522782
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
methyl 3-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzoate
CID 108986079
N-(2-methoxy-4-nitrophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108513047
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
N-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950439
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzamide?
The IUPAC name of 2-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzamide (CID 108529398) is 2-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzamide is Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccccc3C(N)=O)CC2)c1.
What is the InChIKey of 2-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzamide?
The InChIKey is KTNFRAAOHNSTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14-5-4-6-15(13-14)23-9-11-24(12-10-23)20(27)19(26)22-17-8-3-2-7-16(17)18(21)25/h2-8,13H,9-12H2,1H3,(H2,21,25)(H,22,26).
What are the key properties of 2-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzamide?
2-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzamide has a molecular weight of 366.42 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzamide is sourced from PubChem (CID 108529398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).