2-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzoic acid

C19H20N2O3 — CID 649340

IUPAC2-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzoic acid
SMILESCN1CCN(C(=O)c2ccccc2-c2ccccc2C(=O)O)CC1
InChIInChI=1S/C19H20N2O3/c1-20-10-12-21(13-11-20)18(22)16-8-4-2-6-14(16)15-7-3-5-9-17(15)19(23)24/h2-9H,10-13H2,1H3,(H,23,24)
InChIKeyBWDZIHJWKQVMSC-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.44
Rot. Bonds3

About 2-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzoic acid

2-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzoic acid (PubChem CID 649340) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzoic acid
PubChem CID649340
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzoic acid
SMILESCN1CCN(C(=O)c2ccccc2-c2ccccc2C(=O)O)CC1
InChIInChI=1S/C19H20N2O3/c1-20-10-12-21(13-11-20)18(22)16-8-4-2-6-14(16)15-7-3-5-9-17(15)19(23)24/h2-9H,10-13H2,1H3,(H,23,24)
InChIKeyBWDZIHJWKQVMSC-UHFFFAOYSA-N
XLogP2.44
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2'-Phenethylcarbamoyl-biphenyl-2-carboxylic acid
CID 823506
2-[(4-Phenylbutan-2-yl)carbamoyl]benzoic acid
CID 3606549
2-[4-[[butanoyl-[(1S)-1-carboxy-2-methylpropyl]amino]methyl]phenyl]-5-fluorobenzoic acid
CID 71461374
2'-{[Methyl(phenyl)amino]carbonyl}-2-biphenylcarboxylic acid
CID 877229
2'-(2-Fluoro-benzylcarbamoyl)-biphenyl-2-carboxylic acid
CID 1431342
2-(4-Phenylpiperazine-1-carbonyl)benzoic acid
CID 710257
2-{[(2-Methylbenzyl)amino]carbonyl}benzoic acid
CID 7315336
5-[2-[Methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylbenzoic acid
CID 10761890
4-(Phenyl-piperazin-1-yl-methyl)-benzoic acid
CID 10827784
N-methyl-N-phenethyl-4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethylethyl)benzamide
CID 11632811
4-[4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazine-1-carbonyl]benzoic acid
CID 11854301
4-[[(4-Phenylbenzoyl)amino]methyl]benzoic acid
CID 17171912

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzoic acid?
The IUPAC name of 2-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzoic acid (CID 649340) is 2-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzoic acid.
What is the SMILES notation for 2-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzoic acid?
The canonical SMILES for 2-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzoic acid is CN1CCN(C(=O)c2ccccc2-c2ccccc2C(=O)O)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzoic acid?
The InChIKey is BWDZIHJWKQVMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-20-10-12-21(13-11-20)18(22)16-8-4-2-6-14(16)15-7-3-5-9-17(15)19(23)24/h2-9H,10-13H2,1H3,(H,23,24).
What are the key properties of 2-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzoic acid?
2-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzoic acid has a molecular weight of 324.38 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzoic acid is sourced from PubChem (CID 649340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).