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

C26H26N2O5 — CID 146347180

IUPAC2-[(2-methoxybenzoyl)amino]-5-(4-phenoxypiperidin-1-yl)benzoic acid
SMILESCOc1ccccc1C(=O)Nc1ccc(N2CCC(Oc3ccccc3)CC2)cc1C(=O)O
InChIInChI=1S/C26H26N2O5/c1-32-24-10-6-5-9-21(24)25(29)27-23-12-11-18(17-22(23)26(30)31)28-15-13-20(14-16-28)33-19-7-3-2-4-8-19/h2-12,17,20H,13-16H2,1H3,(H,27,29)(H,30,31)
InChIKeyTWXQTMAODADCRA-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.69
Rot. Bonds7

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

2-[(2-methoxybenzoyl)amino]-5-(4-phenoxypiperidin-1-yl)benzoic acid (PubChem CID 146347180) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is 2-[(2-methoxybenzoyl)amino]-5-(4-phenoxypiperidin-1-yl)benzoic acid.

Molecular Properties

Compound Name2-[(2-methoxybenzoyl)amino]-5-(4-phenoxypiperidin-1-yl)benzoic acid
PubChem CID146347180
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name2-[(2-methoxybenzoyl)amino]-5-(4-phenoxypiperidin-1-yl)benzoic acid
SMILESCOc1ccccc1C(=O)Nc1ccc(N2CCC(Oc3ccccc3)CC2)cc1C(=O)O
InChIInChI=1S/C26H26N2O5/c1-32-24-10-6-5-9-21(24)25(29)27-23-12-11-18(17-22(23)26(30)31)28-15-13-20(14-16-28)33-19-7-3-2-4-8-19/h2-12,17,20H,13-16H2,1H3,(H,27,29)(H,30,31)
InChIKeyTWXQTMAODADCRA-UHFFFAOYSA-N
XLogP4.69
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxybenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 50782341
5-[4-(2-chlorophenyl)piperazin-1-yl]-2-[(2-methoxybenzoyl)amino]benzoic acid
CID 50782404
N-(2-acetyl-4-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 66659181
5-iodo-2-[(2-methoxybenzoyl)amino]benzoic acid
CID 45345783
5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-[(2-methylbenzoyl)amino]benzoic acid
CID 50781853
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(3-methylbenzoyl)amino]benzoic acid
CID 50781854
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
2-[(4-fluorobenzoyl)amino]-5-(4-methylpiperidin-1-yl)benzoic acid
CID 50782697
methyl 5-fluoro-2-[[2-(1-methylpiperidin-4-yl)oxy-4-pyrrolidin-1-ylbenzoyl]amino]benzoate
CID 68534920
N-[2-amino-4-methyl-5-(4-methylpiperidin-1-yl)phenyl]-2-methoxybenzamide
CID 91684192
2-[[3-[(2-methoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 17341336

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxybenzoyl)amino]-5-(4-phenoxypiperidin-1-yl)benzoic acid?
The IUPAC name of 2-[(2-methoxybenzoyl)amino]-5-(4-phenoxypiperidin-1-yl)benzoic acid (CID 146347180) is 2-[(2-methoxybenzoyl)amino]-5-(4-phenoxypiperidin-1-yl)benzoic acid.
What is the SMILES notation for 2-[(2-methoxybenzoyl)amino]-5-(4-phenoxypiperidin-1-yl)benzoic acid?
The canonical SMILES for 2-[(2-methoxybenzoyl)amino]-5-(4-phenoxypiperidin-1-yl)benzoic acid is COc1ccccc1C(=O)Nc1ccc(N2CCC(Oc3ccccc3)CC2)cc1C(=O)O.
What is the InChIKey of 2-[(2-methoxybenzoyl)amino]-5-(4-phenoxypiperidin-1-yl)benzoic acid?
The InChIKey is TWXQTMAODADCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-32-24-10-6-5-9-21(24)25(29)27-23-12-11-18(17-22(23)26(30)31)28-15-13-20(14-16-28)33-19-7-3-2-4-8-19/h2-12,17,20H,13-16H2,1H3,(H,27,29)(H,30,31).
What are the key properties of 2-[(2-methoxybenzoyl)amino]-5-(4-phenoxypiperidin-1-yl)benzoic acid?
2-[(2-methoxybenzoyl)amino]-5-(4-phenoxypiperidin-1-yl)benzoic acid has a molecular weight of 446.50 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxybenzoyl)amino]-5-(4-phenoxypiperidin-1-yl)benzoic acid is sourced from PubChem (CID 146347180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).