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

C14H20N4O3 — CID 44995872

IUPACN-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C14H20N4O3/c1-17-7-9-18(10-8-17)16-14(20)13(19)15-11-3-5-12(21-2)6-4-11/h3-6H,7-10H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyWUQNTOOOCDVPQK-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.09
Rot. Bonds3

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

N-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide (PubChem CID 44995872) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
PubChem CID44995872
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C14H20N4O3/c1-17-7-9-18(10-8-17)16-14(20)13(19)15-11-3-5-12(21-2)6-4-11/h3-6H,7-10H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyWUQNTOOOCDVPQK-UHFFFAOYSA-N
XLogP-0.09
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 44997030
N'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide
CID 108511717
N'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide
CID 44999026
N'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide
CID 108508857
N-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetamide
CID 83021572
4-methoxy-N-(4-methylpiperazin-1-yl)benzamide
CID 4605350
N-(4-butylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 108502545
[4-[[2-[(4-methylpiperazin-1-yl)amino]-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108527864
N'-(4-methoxyphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 8670123
(Z)-2-cyano-N-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)prop-2-enamide
CID 98348176
2-(4-methoxyphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide
CID 9205759
N-(1H-indazol-6-yl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 108530151

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
The IUPAC name of N-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide (CID 44995872) is N-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
The canonical SMILES for N-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide is COc1ccc(NC(=O)C(=O)NN2CCN(C)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
The InChIKey is WUQNTOOOCDVPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-17-7-9-18(10-8-17)16-14(20)13(19)15-11-3-5-12(21-2)6-4-11/h3-6H,7-10H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of N-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
N-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide has a molecular weight of 292.34 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide is sourced from PubChem (CID 44995872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).