N'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide

C16H24N4O2 — CID 108517726

IUPACN'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCCN2CCNCC2)cc1
InChIInChI=1S/C16H24N4O2/c1-13-2-4-14(5-3-13)12-19-16(22)15(21)18-8-11-20-9-6-17-7-10-20/h2-5,17H,6-12H2,1H3,(H,18,21)(H,19,22)
InChIKeyPKAVPCMYNIULKW-UHFFFAOYSA-N
MW304.39 g/mol
LogP-0.37
Rot. Bonds5

About N'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide

N'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide (PubChem CID 108517726) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide
PubChem CID108517726
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCCN2CCNCC2)cc1
InChIInChI=1S/C16H24N4O2/c1-13-2-4-14(5-3-13)12-19-16(22)15(21)18-8-11-20-9-6-17-7-10-20/h2-5,17H,6-12H2,1H3,(H,18,21)(H,19,22)
InChIKeyPKAVPCMYNIULKW-UHFFFAOYSA-N
XLogP-0.37
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methylphenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
CID 108899068
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119260061
N-(2-piperazin-1-ylethyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108517755
N'-[(4-methylphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268265
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 62537843
2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119164452
4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 90338095
1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
CID 33427522
1-[(4-methylphenoxy)methyl]-3-(2-piperazin-1-ylethyl)urea
CID 108892918
2-(4-methylphenyl)-3-oxo-N-(2-piperazin-1-ylethyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119448604
2-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 106862040

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide?
The IUPAC name of N'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide (CID 108517726) is N'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide.
What is the SMILES notation for N'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide?
The canonical SMILES for N'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide is Cc1ccc(CNC(=O)C(=O)NCCN2CCNCC2)cc1.
What is the InChIKey of N'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide?
The InChIKey is PKAVPCMYNIULKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-13-2-4-14(5-3-13)12-19-16(22)15(21)18-8-11-20-9-6-17-7-10-20/h2-5,17H,6-12H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide?
N'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide has a molecular weight of 304.39 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methylphenyl)methyl]-N-(2-piperazin-1-ylethyl)oxamide is sourced from PubChem (CID 108517726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).