N'-(4-methylpiperazin-1-yl)-N-(2-piperazin-1-ylethyl)oxamide

C13H26N6O2 — CID 108518064

IUPACN'-(4-methylpiperazin-1-yl)-N-(2-piperazin-1-ylethyl)oxamide
SMILESCN1CCN(NC(=O)C(=O)NCCN2CCNCC2)CC1
InChIInChI=1S/C13H26N6O2/c1-17-8-10-19(11-9-17)16-13(21)12(20)15-4-7-18-5-2-14-3-6-18/h14H,2-11H2,1H3,(H,15,20)(H,16,21)
InChIKeyCLJJNUXWCKDYMN-UHFFFAOYSA-N
MW298.39 g/mol
LogP-2.71
Rot. Bonds4

About N'-(4-methylpiperazin-1-yl)-N-(2-piperazin-1-ylethyl)oxamide

N'-(4-methylpiperazin-1-yl)-N-(2-piperazin-1-ylethyl)oxamide (PubChem CID 108518064) has the molecular formula C13H26N6O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N'-(4-methylpiperazin-1-yl)-N-(2-piperazin-1-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(4-methylpiperazin-1-yl)-N-(2-piperazin-1-ylethyl)oxamide
PubChem CID108518064
Molecular FormulaC13H26N6O2
Molecular Weight298.39 g/mol
Exact Mass298.21
IUPAC NameN'-(4-methylpiperazin-1-yl)-N-(2-piperazin-1-ylethyl)oxamide
SMILESCN1CCN(NC(=O)C(=O)NCCN2CCNCC2)CC1
InChIInChI=1S/C13H26N6O2/c1-17-8-10-19(11-9-17)16-13(21)12(20)15-4-7-18-5-2-14-3-6-18/h14H,2-11H2,1H3,(H,15,20)(H,16,21)
InChIKeyCLJJNUXWCKDYMN-UHFFFAOYSA-N
XLogP-2.71
TPSA79.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-2.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Piperazinyldiketone
CID 13750373
2,2,2-trifluoro-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]acetamide
CID 84426461
N1-isobutyl-N2-(4-methylpiperazin-1-yl)oxalamide
CID 45585733
1-Methyl-4-(piperazin-1-ylacetyl)piperazine
CID 14090605
1-(2,3-Dioxopiperazin-1-yl)piperazine-2,3-dione
CID 19085513
N-methyl-2-piperazin-1-ylacetohydrazide
CID 19778604
1,4-Dimethylpiperazine-2,5-dione;1-methylpiperazine-2,5-dione
CID 19808084
1-[2-(2-Oxopiperazin-1-yl)ethyl]piperazin-2-one
CID 21114083
2-(4-acetylpiperazinyl)-N-aminoacetamide
CID 22479754
2-(4-Methylpiperazin-1-yl)-1-piperazin-1-ylethanone
CID 24690947
2-(4-Ethylpiperazin-1-yl)-1-piperazin-1-ylethanone
CID 24708053
2-(4-Acetylpiperazin-1-yl)-1-piperazin-1-ylethanone
CID 24708801

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylpiperazin-1-yl)-N-(2-piperazin-1-ylethyl)oxamide?
The IUPAC name of N'-(4-methylpiperazin-1-yl)-N-(2-piperazin-1-ylethyl)oxamide (CID 108518064) is N'-(4-methylpiperazin-1-yl)-N-(2-piperazin-1-ylethyl)oxamide.
What is the SMILES notation for N'-(4-methylpiperazin-1-yl)-N-(2-piperazin-1-ylethyl)oxamide?
The canonical SMILES for N'-(4-methylpiperazin-1-yl)-N-(2-piperazin-1-ylethyl)oxamide is CN1CCN(NC(=O)C(=O)NCCN2CCNCC2)CC1.
What is the InChIKey of N'-(4-methylpiperazin-1-yl)-N-(2-piperazin-1-ylethyl)oxamide?
The InChIKey is CLJJNUXWCKDYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O2/c1-17-8-10-19(11-9-17)16-13(21)12(20)15-4-7-18-5-2-14-3-6-18/h14H,2-11H2,1H3,(H,15,20)(H,16,21).
What are the key properties of N'-(4-methylpiperazin-1-yl)-N-(2-piperazin-1-ylethyl)oxamide?
N'-(4-methylpiperazin-1-yl)-N-(2-piperazin-1-ylethyl)oxamide has a molecular weight of 298.39 g/mol, XLogP of -2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylpiperazin-1-yl)-N-(2-piperazin-1-ylethyl)oxamide is sourced from PubChem (CID 108518064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).