1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione

C17H23N5O3 — CID 108508501

IUPAC1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
SMILESCC(=O)N1CCN(C(=O)C(=O)N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C17H23N5O3/c1-14(23)19-6-10-21(11-7-19)16(24)17(25)22-12-8-20(9-13-22)15-4-2-3-5-18-15/h2-5H,6-13H2,1H3
InChIKeySXPUHUFIMWTDRG-UHFFFAOYSA-N
MW345.40 g/mol
LogP-0.58
Rot. Bonds1

About 1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione

1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione (PubChem CID 108508501) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
PubChem CID108508501
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
SMILESCC(=O)N1CCN(C(=O)C(=O)N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C17H23N5O3/c1-14(23)19-6-10-21(11-7-19)16(24)17(25)22-12-8-20(9-13-22)15-4-2-3-5-18-15/h2-5H,6-13H2,1H3
InChIKeySXPUHUFIMWTDRG-UHFFFAOYSA-N
XLogP-0.58
TPSA77.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione with MolForge

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Related Compounds

1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108530749
N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108506944
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
2,2,2-trichloro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 885984
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
N,N-bis(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108510007
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
N-(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108528029
(2E)-2-benzylidene-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 110298772
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione (CID 108508501) is 1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione is CC(=O)N1CCN(C(=O)C(=O)N2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione?
The InChIKey is SXPUHUFIMWTDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-14(23)19-6-10-21(11-7-19)16(24)17(25)22-12-8-20(9-13-22)15-4-2-3-5-18-15/h2-5H,6-13H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione?
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione has a molecular weight of 345.40 g/mol, XLogP of -0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 108508501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).