2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-2-oxoacetamide

C13H26N6O2 — CID 108518063

IUPAC2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-2-oxoacetamide
SMILESCN1CCN(NC(=O)C(=O)N2CCN(CCN)CC2)CC1
InChIInChI=1S/C13H26N6O2/c1-16-4-10-19(11-5-16)15-12(20)13(21)18-8-6-17(3-2-14)7-9-18/h2-11,14H2,1H3,(H,15,20)
InChIKeyLVWKDTMHXQICGZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP-2.63
Rot. Bonds3

About 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-2-oxoacetamide

2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-2-oxoacetamide (PubChem CID 108518063) has the molecular formula C13H26N6O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-2-oxoacetamide
PubChem CID108518063
Molecular FormulaC13H26N6O2
Molecular Weight298.39 g/mol
Exact Mass298.21
IUPAC Name2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-2-oxoacetamide
SMILESCN1CCN(NC(=O)C(=O)N2CCN(CCN)CC2)CC1
InChIInChI=1S/C13H26N6O2/c1-16-4-10-19(11-5-16)15-12(20)13(21)18-8-6-17(3-2-14)7-9-18/h2-11,14H2,1H3,(H,15,20)
InChIKeyLVWKDTMHXQICGZ-UHFFFAOYSA-N
XLogP-2.63
TPSA85.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-2.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N1-isobutyl-N2-(4-methylpiperazin-1-yl)oxalamide
CID 45585733
2-(4-acetylpiperazinyl)-N-aminoacetamide
CID 22479754
2-(4-Acetylpiperazin-1-yl)-1-piperazin-1-ylethanone
CID 24708801
1-(4-Methylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 33747989
N-(4-methylpiperazin-1-yl)-2-piperazin-1-ylacetamide
CID 53700423
1-(4-Methyl-4-oxidopiperazin-4-ium-1-yl)piperazin-2-one
CID 54160034
(4-Ethyl-2,3-dioxo-piperazin-1-yl)-acetic acid hydrazide
CID 55027973
3,3,4,5,5-Pentamethyl-1-[2-[(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)amino]ethyl]piperazin-2-one
CID 57652874
1-Methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
CID 58735636
N-ethyl-2-[(4-methylpiperazin-1-yl)amino]acetamide
CID 59002100
N'-methyl-2-(4-methylpiperazin-1-yl)acetohydrazide
CID 59817251
1-Piperazin-1-ylpiperazine-2,3-dione
CID 67714449

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-2-oxoacetamide?
The IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-2-oxoacetamide (CID 108518063) is 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-2-oxoacetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-2-oxoacetamide is CN1CCN(NC(=O)C(=O)N2CCN(CCN)CC2)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-2-oxoacetamide?
The InChIKey is LVWKDTMHXQICGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O2/c1-16-4-10-19(11-5-16)15-12(20)13(21)18-8-6-17(3-2-14)7-9-18/h2-11,14H2,1H3,(H,15,20).
What are the key properties of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-2-oxoacetamide?
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-2-oxoacetamide has a molecular weight of 298.39 g/mol, XLogP of -2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-methylpiperazin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108518063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).