2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid

C19H17FN2O4 — CID 113083234

IUPAC2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C19H17FN2O4/c20-14-5-3-4-13(12-14)17(23)21-8-10-22(11-9-21)18(24)15-6-1-2-7-16(15)19(25)26/h1-7,12H,8-11H2,(H,25,26)
InChIKeyUGUFUJNCXNRZDN-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.12
Rot. Bonds3

About 2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid

2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid (PubChem CID 113083234) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid.

Molecular Properties

Compound Name2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
PubChem CID113083234
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C19H17FN2O4/c20-14-5-3-4-13(12-14)17(23)21-8-10-22(11-9-21)18(24)15-6-1-2-7-16(15)19(25)26/h1-7,12H,8-11H2,(H,25,26)
InChIKeyUGUFUJNCXNRZDN-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-(3-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

(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083235
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
(3-fluorophenyl)-[4-[2-(methylamino)benzoyl]-1,4-diazepan-1-yl]methanone
CID 136547488
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
(3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone
CID 32523344
(3-fluorophenyl)-[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]methanone
CID 38496822
[4-(5-bromo-2-chlorobenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 32521987
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110365289
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
1-(3-fluorobenzoyl)-4-phenyl-1,4-diazepan-5-one
CID 110873908

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid?
The IUPAC name of 2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid (CID 113083234) is 2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid.
What is the SMILES notation for 2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid?
The canonical SMILES for 2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid is O=C(O)c1ccccc1C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid?
The InChIKey is UGUFUJNCXNRZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c20-14-5-3-4-13(12-14)17(23)21-8-10-22(11-9-21)18(24)15-6-1-2-7-16(15)19(25)26/h1-7,12H,8-11H2,(H,25,26).
What are the key properties of 2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid?
2-[4-(3-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-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid is sourced from PubChem (CID 113083234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).