bis(2-benzamidobenzoic acid);piperazine

C32H32N4O6 — CID 3045073

IUPACbis(2-benzamidobenzoic acid);piperazine
SMILESC1CNCCN1.O=C(Nc1ccccc1C(=O)O)c1ccccc1.O=C(Nc1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/2C14H11NO3.C4H10N2/c2*16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18;1-2-6-4-3-5-1/h2*1-9H,(H,15,16)(H,17,18);5-6H,1-4H2
InChIKeyWPWVHHYAGDGQAN-UHFFFAOYSA-N
MW568.63 g/mol
LogP4.45
Rot. Bonds6

About bis(2-benzamidobenzoic acid);piperazine

bis(2-benzamidobenzoic acid);piperazine (PubChem CID 3045073) has the molecular formula C32H32N4O6 and a molecular weight of 568.63 g/mol. Its IUPAC name is bis(2-benzamidobenzoic acid);piperazine.

Molecular Properties

Compound Namebis(2-benzamidobenzoic acid);piperazine
PubChem CID3045073
Molecular FormulaC32H32N4O6
Molecular Weight568.63 g/mol
Exact Mass568.23
IUPAC Namebis(2-benzamidobenzoic acid);piperazine
SMILESC1CNCCN1.O=C(Nc1ccccc1C(=O)O)c1ccccc1.O=C(Nc1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/2C14H11NO3.C4H10N2/c2*16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18;1-2-6-4-3-5-1/h2*1-9H,(H,15,16)(H,17,18);5-6H,1-4H2
InChIKeyWPWVHHYAGDGQAN-UHFFFAOYSA-N
XLogP4.45
TPSA156.86 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.63
LogP ≤ 54.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzamido-N-piperidin-4-ylbenzamide
CID 119388442
ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid
CID 143368686
2-benzamido-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447369
2-[(4-cyclopropylbenzoyl)amino]benzoic acid
CID 126822246
2-benzamidobenzamide
CID 702115
N-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]benzamide
CID 32904614
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
2-[[2-(methylamino)benzoyl]amino]benzoic acid
CID 12819847
zinc bis(2-benzamidobenzoate)
CID 67586546
2-(pyrimidine-5-carbonylamino)benzoic acid
CID 110466857
2-[(3,5-dimethylbenzoyl)amino]benzoic acid
CID 16771715
2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid
CID 45340861

Frequently Asked Questions

What is the IUPAC name of bis(2-benzamidobenzoic acid);piperazine?
The IUPAC name of bis(2-benzamidobenzoic acid);piperazine (CID 3045073) is bis(2-benzamidobenzoic acid);piperazine.
What is the SMILES notation for bis(2-benzamidobenzoic acid);piperazine?
The canonical SMILES for bis(2-benzamidobenzoic acid);piperazine is C1CNCCN1.O=C(Nc1ccccc1C(=O)O)c1ccccc1.O=C(Nc1ccccc1C(=O)O)c1ccccc1.
What is the InChIKey of bis(2-benzamidobenzoic acid);piperazine?
The InChIKey is WPWVHHYAGDGQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H11NO3.C4H10N2/c2*16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18;1-2-6-4-3-5-1/h2*1-9H,(H,15,16)(H,17,18);5-6H,1-4H2.
What are the key properties of bis(2-benzamidobenzoic acid);piperazine?
bis(2-benzamidobenzoic acid);piperazine has a molecular weight of 568.63 g/mol, XLogP of 4.45, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-benzamidobenzoic acid);piperazine is sourced from PubChem (CID 3045073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).