4-[4-(4-fluorophenyl)-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylic acid

C18H19FN4O4 — CID 146243047

IUPAC4-[4-(4-fluorophenyl)-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylic acid
SMILESO=CCCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C18H19FN4O4/c19-13-3-5-15(6-4-13)23-12-14(2-1-11-24)20-16(17(23)25)21-7-9-22(10-8-21)18(26)27/h3-6,11-12H,1-2,7-10H2,(H,26,27)
InChIKeyQHFKUQTZJFXYBX-UHFFFAOYSA-N
MW374.37 g/mol
LogP1.30
Rot. Bonds5

About 4-[4-(4-fluorophenyl)-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylic acid

4-[4-(4-fluorophenyl)-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylic acid (PubChem CID 146243047) has the molecular formula C18H19FN4O4 and a molecular weight of 374.37 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylic acid
PubChem CID146243047
Molecular FormulaC18H19FN4O4
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name4-[4-(4-fluorophenyl)-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylic acid
SMILESO=CCCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCN(C(=O)O)CC2)n1
InChIInChI=1S/C18H19FN4O4/c19-13-3-5-15(6-4-13)23-12-14(2-1-11-24)20-16(17(23)25)21-7-9-22(10-8-21)18(26)27/h3-6,11-12H,1-2,7-10H2,(H,26,27)
InChIKeyQHFKUQTZJFXYBX-UHFFFAOYSA-N
XLogP1.30
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-(4-fluorophenyl)-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-butyrylpiperazino)-1-ethyl-2(1H)-quinoxalinone
CID 50837390
4-(7-Fluoro-3-oxo-4-phenylquinoxalin-2-yl)piperazine-1-carboxylic acid
CID 143180225
4-[6-(3-Ethoxy-3-oxopropyl)-4-(4-fluorophenyl)-3-oxopyrazin-2-yl]piperazine-1-carboxylic acid
CID 146242933
3-[4-(4-Fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanoic acid
CID 146242961
3-[4-(4-Fluorophenyl)-6-(4-methylsulfonylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal
CID 146242973
Ethyl 3-[4-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate
CID 146242982
1-(4-Fluorophenyl)-5-(3-hydroxypropyl)-3-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-one
CID 146243005
3-[4-(4-Fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal
CID 146243015
3-[4-(4-Fluorophenyl)-5-oxo-6-piperidin-1-ylpyrazin-2-yl]propanal
CID 146243040
3-[4-(4-Fluorophenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-5-oxopyrazin-2-yl]propanal
CID 146243049
4-[6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-4-(4-fluorophenyl)-3-oxopyrazin-2-yl]piperazine-1-carboxylic acid
CID 146243065
4-[4-(4-Fluorophenyl)-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperazine-1-carboxylic acid
CID 146243066

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[4-(4-fluorophenyl)-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylic acid (CID 146243047) is 4-[4-(4-fluorophenyl)-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[4-(4-fluorophenyl)-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylic acid is O=CCCc1cn(-c2ccc(F)cc2)c(=O)c(N2CCN(C(=O)O)CC2)n1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylic acid?
The InChIKey is QHFKUQTZJFXYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4/c19-13-3-5-15(6-4-13)23-12-14(2-1-11-24)20-16(17(23)25)21-7-9-22(10-8-21)18(26)27/h3-6,11-12H,1-2,7-10H2,(H,26,27).
What are the key properties of 4-[4-(4-fluorophenyl)-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylic acid?
4-[4-(4-fluorophenyl)-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylic acid has a molecular weight of 374.37 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-3-oxo-6-(3-oxopropyl)pyrazin-2-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 146243047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).