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

C19H17ClN2O4 — CID 2050560

IUPAC2-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H17ClN2O4/c20-16-8-4-3-7-15(16)18(24)22-11-9-21(10-12-22)17(23)13-5-1-2-6-14(13)19(25)26/h1-8H,9-12H2,(H,25,26)
InChIKeyYUDHEDOQPKBUOY-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.64
Rot. Bonds3

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

2-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid (PubChem CID 2050560) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 2-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid.

Molecular Properties

Compound Name2-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid
PubChem CID2050560
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name2-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H17ClN2O4/c20-16-8-4-3-7-15(16)18(24)22-11-9-21(10-12-22)17(23)13-5-1-2-6-14(13)19(25)26/h1-8H,9-12H2,(H,25,26)
InChIKeyYUDHEDOQPKBUOY-UHFFFAOYSA-N
XLogP2.64
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-chlorophenyl)ethylcarbamoyl]benzoic Acid
CID 3616161
2-(4-Methylpiperazine-1-carbonyl)benzoic acid
CID 300505
2'-(4-Methylpiperazine-1-carbonyl)-[1,1'-biphenyl]-2-carboxylic acid
CID 649340
4,5-Dichloro-2-[(dibenzylamino)carbonyl]benzoic acid
CID 2913725
2-[(4-phenyl-3,6-dihydropyridin-1(2H)-yl)carbonyl]benzoic acid
CID 3244695
2-[Benzyl(methyl)carbamoyl]benzoic acid
CID 359327
2-[4-(3-Chlorophenyl)piperazine-1-carbonyl]benzoic acid
CID 649874
2-[[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]benzoic acid
CID 57888758
2-(4-Benzoylpiperidine-1-carbonyl)benzoic acid
CID 1438175
2'-(2-Chloro-benzylcarbamoyl)-biphenyl-2-carboxylic acid
CID 1431344
2-(Dibenzylcarbamoyl)benzoic acid
CID 272861
Benzoic acid, 2-((4-(4-(4-fluorophenyl)-4-oxobutyl)-1-piperazinyl)carbonyl)-, dihydrate
CID 3049927

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid?
The IUPAC name of 2-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid (CID 2050560) is 2-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid.
What is the SMILES notation for 2-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid?
The canonical SMILES for 2-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid is O=C(O)c1ccccc1C(=O)N1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid?
The InChIKey is YUDHEDOQPKBUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c20-16-8-4-3-7-15(16)18(24)22-11-9-21(10-12-22)17(23)13-5-1-2-6-14(13)19(25)26/h1-8H,9-12H2,(H,25,26).
What are the key properties of 2-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid?
2-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid has a molecular weight of 372.81 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid is sourced from PubChem (CID 2050560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).