N-methyl-N'-(2-piperazin-1-ylethyl)oxamide

C9H18N4O2 — CID 567248

IUPACN-methyl-N'-(2-piperazin-1-ylethyl)oxamide
SMILESCNC(=O)C(=O)NCCN1CCNCC1
InChIInChI=1S/C9H18N4O2/c1-10-8(14)9(15)12-4-7-13-5-2-11-3-6-13/h11H,2-7H2,1H3,(H,10,14)(H,12,15)
InChIKeyXNIUKHZAJODRKM-UHFFFAOYSA-N
MW214.27 g/mol
LogP-2.25
Rot. Bonds3

About N-methyl-N'-(2-piperazin-1-ylethyl)oxamide

N-methyl-N'-(2-piperazin-1-ylethyl)oxamide (PubChem CID 567248) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is N-methyl-N'-(2-piperazin-1-ylethyl)oxamide.

Molecular Properties

Compound NameN-methyl-N'-(2-piperazin-1-ylethyl)oxamide
PubChem CID567248
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC NameN-methyl-N'-(2-piperazin-1-ylethyl)oxamide
SMILESCNC(=O)C(=O)NCCN1CCNCC1
InChIInChI=1S/C9H18N4O2/c1-10-8(14)9(15)12-4-7-13-5-2-11-3-6-13/h11H,2-7H2,1H3,(H,10,14)(H,12,15)
InChIKeyXNIUKHZAJODRKM-UHFFFAOYSA-N
XLogP-2.25
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-2.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(2-piperazin-1-ylethyl)oxamide?
The IUPAC name of N-methyl-N'-(2-piperazin-1-ylethyl)oxamide (CID 567248) is N-methyl-N'-(2-piperazin-1-ylethyl)oxamide.
What is the SMILES notation for N-methyl-N'-(2-piperazin-1-ylethyl)oxamide?
The canonical SMILES for N-methyl-N'-(2-piperazin-1-ylethyl)oxamide is CNC(=O)C(=O)NCCN1CCNCC1.
What is the InChIKey of N-methyl-N'-(2-piperazin-1-ylethyl)oxamide?
The InChIKey is XNIUKHZAJODRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-10-8(14)9(15)12-4-7-13-5-2-11-3-6-13/h11H,2-7H2,1H3,(H,10,14)(H,12,15).
What are the key properties of N-methyl-N'-(2-piperazin-1-ylethyl)oxamide?
N-methyl-N'-(2-piperazin-1-ylethyl)oxamide has a molecular weight of 214.27 g/mol, XLogP of -2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(2-piperazin-1-ylethyl)oxamide is sourced from PubChem (CID 567248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).