3-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]butanoic acid

C16H21FN2O4 — CID 154746368

IUPAC3-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]butanoic acid
SMILESCOc1ccc(C(=O)N2CCN(C(C)CC(=O)O)CC2)c(F)c1
InChIInChI=1S/C16H21FN2O4/c1-11(9-15(20)21)18-5-7-19(8-6-18)16(22)13-4-3-12(23-2)10-14(13)17/h3-4,10-11H,5-9H2,1-2H3,(H,20,21)
InChIKeyGLYUUXOUEGLZHX-UHFFFAOYSA-N
MW324.35 g/mol
LogP1.46
Rot. Bonds5

About 3-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]butanoic acid

3-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]butanoic acid (PubChem CID 154746368) has the molecular formula C16H21FN2O4 and a molecular weight of 324.35 g/mol. Its IUPAC name is 3-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name3-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]butanoic acid
PubChem CID154746368
Molecular FormulaC16H21FN2O4
Molecular Weight324.35 g/mol
Exact Mass324.15
IUPAC Name3-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]butanoic acid
SMILESCOc1ccc(C(=O)N2CCN(C(C)CC(=O)O)CC2)c(F)c1
InChIInChI=1S/C16H21FN2O4/c1-11(9-15(20)21)18-5-7-19(8-6-18)16(22)13-4-3-12(23-2)10-14(13)17/h3-4,10-11H,5-9H2,1-2H3,(H,20,21)
InChIKeyGLYUUXOUEGLZHX-UHFFFAOYSA-N
XLogP1.46
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]butanoic 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-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95345550
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid
CID 103628835
[4-(2-bromoethyl)piperazin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102885135
(2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 55379370
(2-fluoro-4-methoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 32966118
1-(azepan-1-yl)-2-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 86911352
1-(2-fluoro-4-methoxybenzoyl)piperidine-4-carbothioamide
CID 102883173
(2-fluoro-4-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone
CID 55653073
(2-fluoro-4-methoxyphenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 38910645
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674394
(4-amino-2-fluorophenyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62774588

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]butanoic acid?
The IUPAC name of 3-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]butanoic acid (CID 154746368) is 3-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]butanoic acid.
What is the SMILES notation for 3-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]butanoic acid?
The canonical SMILES for 3-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]butanoic acid is COc1ccc(C(=O)N2CCN(C(C)CC(=O)O)CC2)c(F)c1.
What is the InChIKey of 3-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]butanoic acid?
The InChIKey is GLYUUXOUEGLZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O4/c1-11(9-15(20)21)18-5-7-19(8-6-18)16(22)13-4-3-12(23-2)10-14(13)17/h3-4,10-11H,5-9H2,1-2H3,(H,20,21).
What are the key properties of 3-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]butanoic acid?
3-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]butanoic acid has a molecular weight of 324.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]butanoic acid is sourced from PubChem (CID 154746368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).