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

C9H18N4O2 — CID 45000062

IUPACN-ethyl-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCCNC(=O)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C9H18N4O2/c1-3-10-8(14)9(15)11-13-6-4-12(2)5-7-13/h3-7H2,1-2H3,(H,10,14)(H,11,15)
InChIKeyDBHKUAPRCSJLNU-UHFFFAOYSA-N
MW214.27 g/mol
LogP-1.60
Rot. Bonds2

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

N-ethyl-N'-(4-methylpiperazin-1-yl)oxamide (PubChem CID 45000062) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is N-ethyl-N'-(4-methylpiperazin-1-yl)oxamide.

Molecular Properties

Compound NameN-ethyl-N'-(4-methylpiperazin-1-yl)oxamide
PubChem CID45000062
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC NameN-ethyl-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCCNC(=O)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C9H18N4O2/c1-3-10-8(14)9(15)11-13-6-4-12(2)5-7-13/h3-7H2,1-2H3,(H,10,14)(H,11,15)
InChIKeyDBHKUAPRCSJLNU-UHFFFAOYSA-N
XLogP-1.60
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-1.60
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

Oxamide, N-methyl-N'-[2-(4-piperazinyl)ethyl]-
CID 567248
1-Piperazineacetic acid, 4-methyl-, hydrazide
CID 90566
2-(Piperazin-1-yl)acetohydrazide
CID 45099474
1,4,7,10-Tetraazabicyclo[8.2.2]tetradecane-11,12-dione
CID 10799267
N-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 83015618
2-[(4-methylpiperazin-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 83021340
2,2,2-trifluoro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]acetamide
CID 84426461
2-[acetamido-(2-aminoacetyl)amino]-N-propylacetamide
CID 162650155
N1-(tert-butyl)-N2-(4-methylpiperazin-1-yl)oxalamide
CID 45000132
N1-cyclopropyl-N2-(4-methylpiperazin-1-yl)oxalamide
CID 45000170
N1-isobutyl-N2-(4-methylpiperazin-1-yl)oxalamide
CID 45585733
N-[2-(dimethylamino)ethyl]-2-piperazin-1-ylacetamide
CID 8022549

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(4-methylpiperazin-1-yl)oxamide?
The IUPAC name of N-ethyl-N'-(4-methylpiperazin-1-yl)oxamide (CID 45000062) is N-ethyl-N'-(4-methylpiperazin-1-yl)oxamide.
What is the SMILES notation for N-ethyl-N'-(4-methylpiperazin-1-yl)oxamide?
The canonical SMILES for N-ethyl-N'-(4-methylpiperazin-1-yl)oxamide is CCNC(=O)C(=O)NN1CCN(C)CC1.
What is the InChIKey of N-ethyl-N'-(4-methylpiperazin-1-yl)oxamide?
The InChIKey is DBHKUAPRCSJLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-3-10-8(14)9(15)11-13-6-4-12(2)5-7-13/h3-7H2,1-2H3,(H,10,14)(H,11,15).
What are the key properties of N-ethyl-N'-(4-methylpiperazin-1-yl)oxamide?
N-ethyl-N'-(4-methylpiperazin-1-yl)oxamide has a molecular weight of 214.27 g/mol, XLogP of -1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(4-methylpiperazin-1-yl)oxamide is sourced from PubChem (CID 45000062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).