2-[4-(2-fluoro-5-methylbenzoyl)piperazin-1-yl]propanoic acid

C15H19FN2O3 — CID 62516519

IUPAC2-[4-(2-fluoro-5-methylbenzoyl)piperazin-1-yl]propanoic acid
SMILESCc1ccc(F)c(C(=O)N2CCN(C(C)C(=O)O)CC2)c1
InChIInChI=1S/C15H19FN2O3/c1-10-3-4-13(16)12(9-10)14(19)18-7-5-17(6-8-18)11(2)15(20)21/h3-4,9,11H,5-8H2,1-2H3,(H,20,21)
InChIKeyRJBUXZDZNSBIDH-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.37
Rot. Bonds3

About 2-[4-(2-fluoro-5-methylbenzoyl)piperazin-1-yl]propanoic acid

2-[4-(2-fluoro-5-methylbenzoyl)piperazin-1-yl]propanoic acid (PubChem CID 62516519) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[4-(2-fluoro-5-methylbenzoyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-fluoro-5-methylbenzoyl)piperazin-1-yl]propanoic acid
PubChem CID62516519
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-[4-(2-fluoro-5-methylbenzoyl)piperazin-1-yl]propanoic acid
SMILESCc1ccc(F)c(C(=O)N2CCN(C(C)C(=O)O)CC2)c1
InChIInChI=1S/C15H19FN2O3/c1-10-3-4-13(16)12(9-10)14(19)18-7-5-17(6-8-18)11(2)15(20)21/h3-4,9,11H,5-8H2,1-2H3,(H,20,21)
InChIKeyRJBUXZDZNSBIDH-UHFFFAOYSA-N
XLogP1.37
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-fluoro-5-methylbenzoyl)piperazin-1-yl]propanoic 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

2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317604
azetidin-1-yl-(2-fluoro-5-methylphenyl)methanone
CID 118296976
(2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone
CID 62508835
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317244
(2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone
CID 62514775
(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 62510549
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
CID 145081702
[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 62515821
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 55841803
8-azaspiro[4.5]decan-8-yl-(2-fluoro-5-methylphenyl)methanone
CID 63159253
(2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62509275
4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64680512

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-5-methylbenzoyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(2-fluoro-5-methylbenzoyl)piperazin-1-yl]propanoic acid (CID 62516519) is 2-[4-(2-fluoro-5-methylbenzoyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2-fluoro-5-methylbenzoyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(2-fluoro-5-methylbenzoyl)piperazin-1-yl]propanoic acid is Cc1ccc(F)c(C(=O)N2CCN(C(C)C(=O)O)CC2)c1.
What is the InChIKey of 2-[4-(2-fluoro-5-methylbenzoyl)piperazin-1-yl]propanoic acid?
The InChIKey is RJBUXZDZNSBIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-10-3-4-13(16)12(9-10)14(19)18-7-5-17(6-8-18)11(2)15(20)21/h3-4,9,11H,5-8H2,1-2H3,(H,20,21).
What are the key properties of 2-[4-(2-fluoro-5-methylbenzoyl)piperazin-1-yl]propanoic acid?
2-[4-(2-fluoro-5-methylbenzoyl)piperazin-1-yl]propanoic acid has a molecular weight of 294.33 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-5-methylbenzoyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62516519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).