2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid

C19H17FN2O4 — CID 113083235

IUPAC2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17FN2O4/c20-14-7-5-13(6-8-14)17(23)21-9-11-22(12-10-21)18(24)15-3-1-2-4-16(15)19(25)26/h1-8H,9-12H2,(H,25,26)
InChIKeyYWUCZLKHXZQNJO-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.12
Rot. Bonds3

About 2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid

2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid (PubChem CID 113083235) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
PubChem CID113083235
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H17FN2O4/c20-14-7-5-13(6-8-14)17(23)21-9-11-22(12-10-21)18(24)15-3-1-2-4-16(15)19(25)26/h1-8H,9-12H2,(H,25,26)
InChIKeyYWUCZLKHXZQNJO-UHFFFAOYSA-N
XLogP2.12
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic 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-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083234
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]benzoic acid
CID 113083273
(4-fluorophenyl)-[4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 108544244
[4-[4-(2,5-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 166198252
4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
CID 2876745
4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylic acid
CID 67493364
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366210
(4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]methanone
CID 36509634
4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 2050566
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36510130
(4-bromophenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365249

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid?
The IUPAC name of 2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid (CID 113083235) is 2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid is O=C(O)c1ccccc1C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid?
The InChIKey is YWUCZLKHXZQNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c20-14-7-5-13(6-8-14)17(23)21-9-11-22(12-10-21)18(24)15-3-1-2-4-16(15)19(25)26/h1-8H,9-12H2,(H,25,26).
What are the key properties of 2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid?
2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid has a molecular weight of 356.35 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid is sourced from PubChem (CID 113083235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).