1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione

C18H23FN4O3 — CID 108508298

IUPAC1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
SMILESCC(=O)N1CCN(C(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C18H23FN4O3/c1-14(24)20-6-10-22(11-7-20)17(25)18(26)23-12-8-21(9-13-23)16-4-2-15(19)3-5-16/h2-5H,6-13H2,1H3
InChIKeyAZBKUYXNXGWRBQ-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.17
Rot. Bonds1

About 1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione

1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione (PubChem CID 108508298) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
PubChem CID108508298
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
SMILESCC(=O)N1CCN(C(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C18H23FN4O3/c1-14(24)20-6-10-22(11-7-20)17(25)18(26)23-12-8-21(9-13-23)16-4-2-15(19)3-5-16/h2-5H,6-13H2,1H3
InChIKeyAZBKUYXNXGWRBQ-UHFFFAOYSA-N
XLogP0.17
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 889083
(Z)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 889084
1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone
CID 20590526
N-(2-acetamidoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108514164
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
(2R)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827512
2-bromo-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 58778042
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-hydroxyethyl)-2-oxoacetamide
CID 108514106
[4-(4-acetylpiperazin-1-yl)phenyl] thiohypochlorite
CID 143497472
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 110673105

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione (CID 108508298) is 1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione is CC(=O)N1CCN(C(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione?
The InChIKey is AZBKUYXNXGWRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-14(24)20-6-10-22(11-7-20)17(25)18(26)23-12-8-21(9-13-23)16-4-2-15(19)3-5-16/h2-5H,6-13H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione?
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione has a molecular weight of 362.41 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 108508298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).