2-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)ethyl]-2-oxoacetamide

C12H22N4O3 — CID 108508416

IUPAC2-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)ethyl]-2-oxoacetamide
SMILESCC(=O)N1CCN(C(=O)C(=O)NCCN(C)C)CC1
InChIInChI=1S/C12H22N4O3/c1-10(17)15-6-8-16(9-7-15)12(19)11(18)13-4-5-14(2)3/h4-9H2,1-3H3,(H,13,18)
InChIKeyAKNHWLYNSFAOLD-UHFFFAOYSA-N
MW270.33 g/mol
LogP-1.65
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)ethyl]-2-oxoacetamide

2-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)ethyl]-2-oxoacetamide (PubChem CID 108508416) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)ethyl]-2-oxoacetamide
PubChem CID108508416
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)ethyl]-2-oxoacetamide
SMILESCC(=O)N1CCN(C(=O)C(=O)NCCN(C)C)CC1
InChIInChI=1S/C12H22N4O3/c1-10(17)15-6-8-16(9-7-15)12(19)11(18)13-4-5-14(2)3/h4-9H2,1-3H3,(H,13,18)
InChIKeyAKNHWLYNSFAOLD-UHFFFAOYSA-N
XLogP-1.65
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-1.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]piperazine-1-carboxylate
CID 108529556
N-[2-(dimethylamino)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108522874
N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523021
N-[3-(dimethylamino)propyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108520549
1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one
CID 110603330
ethyl 1-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]piperidine-3-carboxylate
CID 108521928
2-(4-acetylpiperazin-1-yl)-N-butan-2-yl-2-oxoacetamide
CID 108505389
2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108984477
N-[2-(dimethylamino)ethyl]-4-formylpiperazine-1-carboxamide
CID 108988177
N-[2-(dimethylamino)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 21353407
N-[2-(dimethylamino)ethyl]-2-methylpropanamide;methane;2-methyl-1-piperazin-1-ylpropan-1-one
CID 159310071
N-[3-(diethylamino)propyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517232

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)ethyl]-2-oxoacetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)ethyl]-2-oxoacetamide (CID 108508416) is 2-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)ethyl]-2-oxoacetamide is CC(=O)N1CCN(C(=O)C(=O)NCCN(C)C)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)ethyl]-2-oxoacetamide?
The InChIKey is AKNHWLYNSFAOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-10(17)15-6-8-16(9-7-15)12(19)11(18)13-4-5-14(2)3/h4-9H2,1-3H3,(H,13,18).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)ethyl]-2-oxoacetamide?
2-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)ethyl]-2-oxoacetamide has a molecular weight of 270.33 g/mol, XLogP of -1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)ethyl]-2-oxoacetamide is sourced from PubChem (CID 108508416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).