2-[(2-methoxybenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid

C26H27N3O5 — CID 50782341

IUPAC2-[(2-methoxybenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid
SMILESCOc1ccc(N2CCN(c3ccc(NC(=O)c4ccccc4OC)c(C(=O)O)c3)CC2)cc1
InChIInChI=1S/C26H27N3O5/c1-33-20-10-7-18(8-11-20)28-13-15-29(16-14-28)19-9-12-23(22(17-19)26(31)32)27-25(30)21-5-3-4-6-24(21)34-2/h3-12,17H,13-16H2,1-2H3,(H,27,30)(H,31,32)
InChIKeyCXHLOXLPHROTHD-UHFFFAOYSA-N
MW461.52 g/mol
LogP3.98
Rot. Bonds7

About 2-[(2-methoxybenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid

2-[(2-methoxybenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid (PubChem CID 50782341) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is 2-[(2-methoxybenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid.

Molecular Properties

Compound Name2-[(2-methoxybenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid
PubChem CID50782341
Molecular FormulaC26H27N3O5
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC Name2-[(2-methoxybenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid
SMILESCOc1ccc(N2CCN(c3ccc(NC(=O)c4ccccc4OC)c(C(=O)O)c3)CC2)cc1
InChIInChI=1S/C26H27N3O5/c1-33-20-10-7-18(8-11-20)28-13-15-29(16-14-28)19-9-12-23(22(17-19)26(31)32)27-25(30)21-5-3-4-6-24(21)34-2/h3-12,17H,13-16H2,1-2H3,(H,27,30)(H,31,32)
InChIKeyCXHLOXLPHROTHD-UHFFFAOYSA-N
XLogP3.98
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(2-methoxybenzoyl)amino]benzoic acid
CID 50782404
2-[(2-methoxybenzoyl)amino]-5-(4-phenoxypiperidin-1-yl)benzoic acid
CID 146347180
N-(2-acetyl-4-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 66659181
2-[(3-chlorobenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 50782249
2-(2,2-dimethylpropanoylamino)-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 50782170
5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-[(2-methylbenzoyl)amino]benzoic acid
CID 50781853
5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid
CID 45345783
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 50782215
5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(3-methylbenzoyl)amino]benzoic acid
CID 50781854
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
5-(4-cyclohexylpiperazin-1-yl)-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 50782152

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxybenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid?
The IUPAC name of 2-[(2-methoxybenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid (CID 50782341) is 2-[(2-methoxybenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid.
What is the SMILES notation for 2-[(2-methoxybenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid?
The canonical SMILES for 2-[(2-methoxybenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid is COc1ccc(N2CCN(c3ccc(NC(=O)c4ccccc4OC)c(C(=O)O)c3)CC2)cc1.
What is the InChIKey of 2-[(2-methoxybenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid?
The InChIKey is CXHLOXLPHROTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-33-20-10-7-18(8-11-20)28-13-15-29(16-14-28)19-9-12-23(22(17-19)26(31)32)27-25(30)21-5-3-4-6-24(21)34-2/h3-12,17H,13-16H2,1-2H3,(H,27,30)(H,31,32).
What are the key properties of 2-[(2-methoxybenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid?
2-[(2-methoxybenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid has a molecular weight of 461.52 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxybenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid is sourced from PubChem (CID 50782341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).