2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-phenylbenzoic acid

C26H26N2O4 — CID 58508448

IUPAC2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-phenylbenzoic acid
SMILESCN1CCC(c2ccc(O)c(C(=O)Nc3cc(-c4ccccc4)ccc3C(=O)O)c2)CC1
InChIInChI=1S/C26H26N2O4/c1-28-13-11-18(12-14-28)19-8-10-24(29)22(15-19)25(30)27-23-16-20(7-9-21(23)26(31)32)17-5-3-2-4-6-17/h2-10,15-16,18,29H,11-14H2,1H3,(H,27,30)(H,31,32)
InChIKeyXBJKPIKMVHVIMS-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.82
Rot. Bonds5

About 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-phenylbenzoic acid

2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-phenylbenzoic acid (PubChem CID 58508448) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-phenylbenzoic acid.

Molecular Properties

Compound Name2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-phenylbenzoic acid
PubChem CID58508448
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-phenylbenzoic acid
SMILESCN1CCC(c2ccc(O)c(C(=O)Nc3cc(-c4ccccc4)ccc3C(=O)O)c2)CC1
InChIInChI=1S/C26H26N2O4/c1-28-13-11-18(12-14-28)19-8-10-24(29)22(15-19)25(30)27-23-16-20(7-9-21(23)26(31)32)17-5-3-2-4-6-17/h2-10,15-16,18,29H,11-14H2,1H3,(H,27,30)(H,31,32)
InChIKeyXBJKPIKMVHVIMS-UHFFFAOYSA-N
XLogP4.82
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-(3-methoxyphenyl)benzoate
CID 58508582
2-[[2-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-4-phenylbenzoic acid
CID 58508844
tert-butyl 2-[(5-cyclohexyl-2-hydroxybenzoyl)amino]-4-phenylbenzoate
CID 58508599
2-[[2-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-4-phenylbenzoic acid;methanesulfonic acid
CID 87227174
2-[[5-[(4-aminopiperidin-1-yl)methyl]-2-hydroxybenzoyl]amino]-4-phenylbenzoic acid
CID 58508901
2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid
CID 167346908
2-[(2-hydroxy-5-phenoxybenzoyl)amino]-4-phenylbenzoic acid
CID 58508485
2-[[2-hydroxy-5-(piperidin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid
CID 58508690
2-[[2-hydroxy-5-(morpholin-4-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid
CID 87227519
methyl 2-[[5-(1-ethoxypiperidin-4-yl)-2-phenylmethoxybenzoyl]amino]-4-phenylbenzoate
CID 174641134
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853577
2-[(2-hydroxy-5-piperidin-1-ylbenzoyl)amino]-4-(3-methylphenyl)benzoic acid
CID 66990742

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-phenylbenzoic acid?
The IUPAC name of 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-phenylbenzoic acid (CID 58508448) is 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-phenylbenzoic acid.
What is the SMILES notation for 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-phenylbenzoic acid?
The canonical SMILES for 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-phenylbenzoic acid is CN1CCC(c2ccc(O)c(C(=O)Nc3cc(-c4ccccc4)ccc3C(=O)O)c2)CC1.
What is the InChIKey of 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-phenylbenzoic acid?
The InChIKey is XBJKPIKMVHVIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-28-13-11-18(12-14-28)19-8-10-24(29)22(15-19)25(30)27-23-16-20(7-9-21(23)26(31)32)17-5-3-2-4-6-17/h2-10,15-16,18,29H,11-14H2,1H3,(H,27,30)(H,31,32).
What are the key properties of 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-phenylbenzoic acid?
2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-phenylbenzoic acid has a molecular weight of 430.50 g/mol, XLogP of 4.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-phenylbenzoic acid is sourced from PubChem (CID 58508448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).