N'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide

C19H22N4O3 — CID 108511717

IUPACN'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide
SMILESCN1CCN(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C19H22N4O3/c1-22-11-13-23(14-12-22)21-19(25)18(24)20-15-7-9-17(10-8-15)26-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,24)(H,21,25)
InChIKeyWLXLHMBZKPTIQT-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.70
Rot. Bonds4

About N'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide

N'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide (PubChem CID 108511717) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide
PubChem CID108511717
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide
SMILESCN1CCN(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C19H22N4O3/c1-22-11-13-23(14-12-22)21-19(25)18(24)20-15-7-9-17(10-8-15)26-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,24)(H,21,25)
InChIKeyWLXLHMBZKPTIQT-UHFFFAOYSA-N
XLogP1.70
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide 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

N-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 44995872
N-(4-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 44997030
N'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide
CID 44999026
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
N'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide
CID 108508857
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
2-oxo-N-(4-phenoxyphenyl)propanamide
CID 115175317
[4-[[2-[(4-methylpiperazin-1-yl)amino]-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108527864
N-(4-butylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 108502545
2-oxo-N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 108511608
N-phenyl-N'-piperidin-1-yloxamide
CID 67261205
methyl 2-oxo-2-(4-phenoxyanilino)acetate
CID 53359368

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide?
The IUPAC name of N'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide (CID 108511717) is N'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide.
What is the SMILES notation for N'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide?
The canonical SMILES for N'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide is CN1CCN(NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of N'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide?
The InChIKey is WLXLHMBZKPTIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-22-11-13-23(14-12-22)21-19(25)18(24)20-15-7-9-17(10-8-15)26-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide?
N'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide has a molecular weight of 354.41 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide is sourced from PubChem (CID 108511717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).