1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione

C12H20N4O3 — CID 28507184

IUPAC1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione
SMILESCC(=O)N1CCN(C(=O)C(=O)N2CCNCC2)CC1
InChIInChI=1S/C12H20N4O3/c1-10(17)14-6-8-16(9-7-14)12(19)11(18)15-4-2-13-3-5-15/h13H,2-9H2,1H3
InChIKeyOOBKTLYGUKXEER-UHFFFAOYSA-N
MW268.32 g/mol
LogP-1.89
Rot. Bonds

About 1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione

1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione (PubChem CID 28507184) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione
PubChem CID28507184
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione
SMILESCC(=O)N1CCN(C(=O)C(=O)N2CCNCC2)CC1
InChIInChI=1S/C12H20N4O3/c1-10(17)14-6-8-16(9-7-14)12(19)11(18)15-4-2-13-3-5-15/h13H,2-9H2,1H3
InChIKeyOOBKTLYGUKXEER-UHFFFAOYSA-N
XLogP-1.89
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.89
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

4,4'-(1,2-Ethanediyl)bis(2,6-piperazinedione)
CID 72760
1-Ethyl-2,3-piperazinedione
CID 108812
N,N-dimethyl-2-(piperazin-1-yl)acetamide
CID 2758642
2,3-Piperazinedione, 1-methyl-
CID 3042433
4-[(2R,3S)-3-(3-oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
CID 166630060
Icrf 158
CID 97592
4-[3-(3-Oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
CID 132047299
1-Methylpiperazine-2,5-dione
CID 260137
N,N'-Ethylenebis-1-piperidineacetamide
CID 2920518
4-[1-(3-Oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
CID 166631267
N-Methyl-2-(4-methyl-3,5-dioxo-1-piperazinyl)acetamide
CID 373589
2-(Methylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 2574890

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione (CID 28507184) is 1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione is CC(=O)N1CCN(C(=O)C(=O)N2CCNCC2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione?
The InChIKey is OOBKTLYGUKXEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-10(17)14-6-8-16(9-7-14)12(19)11(18)15-4-2-13-3-5-15/h13H,2-9H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione?
1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione has a molecular weight of 268.32 g/mol, XLogP of -1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione is sourced from PubChem (CID 28507184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).