2-[(2-hydroxy-5-piperidin-1-ylbenzoyl)amino]-4-(3-methylphenyl)benzoic acid

C26H26N2O4 — CID 66990742

IUPAC2-[(2-hydroxy-5-piperidin-1-ylbenzoyl)amino]-4-(3-methylphenyl)benzoic acid
SMILESCc1cccc(-c2ccc(C(=O)O)c(NC(=O)c3cc(N4CCCCC4)ccc3O)c2)c1
InChIInChI=1S/C26H26N2O4/c1-17-6-5-7-18(14-17)19-8-10-21(26(31)32)23(15-19)27-25(30)22-16-20(9-11-24(22)29)28-12-3-2-4-13-28/h5-11,14-16,29H,2-4,12-13H2,1H3,(H,27,30)(H,31,32)
InChIKeyPLKGDIFMGAYHAZ-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.31
Rot. Bonds5

About 2-[(2-hydroxy-5-piperidin-1-ylbenzoyl)amino]-4-(3-methylphenyl)benzoic acid

2-[(2-hydroxy-5-piperidin-1-ylbenzoyl)amino]-4-(3-methylphenyl)benzoic acid (PubChem CID 66990742) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-piperidin-1-ylbenzoyl)amino]-4-(3-methylphenyl)benzoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-5-piperidin-1-ylbenzoyl)amino]-4-(3-methylphenyl)benzoic acid
PubChem CID66990742
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name2-[(2-hydroxy-5-piperidin-1-ylbenzoyl)amino]-4-(3-methylphenyl)benzoic acid
SMILESCc1cccc(-c2ccc(C(=O)O)c(NC(=O)c3cc(N4CCCCC4)ccc3O)c2)c1
InChIInChI=1S/C26H26N2O4/c1-17-6-5-7-18(14-17)19-8-10-21(26(31)32)23(15-19)27-25(30)22-16-20(9-11-24(22)29)28-12-3-2-4-13-28/h5-11,14-16,29H,2-4,12-13H2,1H3,(H,27,30)(H,31,32)
InChIKeyPLKGDIFMGAYHAZ-UHFFFAOYSA-N
XLogP5.31
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-butoxy-5-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoic acid
CID 70857388
N-[2-formyl-5-(2-methylphenyl)phenyl]-2-hydroxy-5-piperidin-1-ylbenzamide
CID 88886236
tert-butyl 2-[(2-hydroxy-4-piperidin-1-ylbenzoyl)amino]-4-phenylbenzoate
CID 58508424
2-[[2-hydroxy-5-(piperidin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid
CID 58508690
2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-phenylbenzoic acid
CID 58508448
2-[[2-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-4-phenylbenzoic acid
CID 58508844
2-[(2-hydroxy-5-phenoxybenzoyl)amino]-4-phenylbenzoic acid
CID 58508485
2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid
CID 167346908
2-[(2-acetyloxy-5-piperidin-1-ylbenzoyl)amino]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]benzoic acid
CID 89038094
2-amino-4-chlorobenzonitrile;N-(5-chloro-2-cyanophenyl)-2-methyl-5-piperidin-1-ylbenzamide;N-(2-cyano-5-phenylphenyl)-2-methyl-5-piperidin-1-ylbenzamide
CID 159186883
2-[[2-hydroxy-5-(morpholin-4-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid
CID 87227519
tert-butyl 2-[[5-(4-hydroxypiperidin-1-yl)-2-methylbenzoyl]amino]-4-phenylbenzoate
CID 58508608

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-piperidin-1-ylbenzoyl)amino]-4-(3-methylphenyl)benzoic acid?
The IUPAC name of 2-[(2-hydroxy-5-piperidin-1-ylbenzoyl)amino]-4-(3-methylphenyl)benzoic acid (CID 66990742) is 2-[(2-hydroxy-5-piperidin-1-ylbenzoyl)amino]-4-(3-methylphenyl)benzoic acid.
What is the SMILES notation for 2-[(2-hydroxy-5-piperidin-1-ylbenzoyl)amino]-4-(3-methylphenyl)benzoic acid?
The canonical SMILES for 2-[(2-hydroxy-5-piperidin-1-ylbenzoyl)amino]-4-(3-methylphenyl)benzoic acid is Cc1cccc(-c2ccc(C(=O)O)c(NC(=O)c3cc(N4CCCCC4)ccc3O)c2)c1.
What is the InChIKey of 2-[(2-hydroxy-5-piperidin-1-ylbenzoyl)amino]-4-(3-methylphenyl)benzoic acid?
The InChIKey is PLKGDIFMGAYHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-17-6-5-7-18(14-17)19-8-10-21(26(31)32)23(15-19)27-25(30)22-16-20(9-11-24(22)29)28-12-3-2-4-13-28/h5-11,14-16,29H,2-4,12-13H2,1H3,(H,27,30)(H,31,32).
What are the key properties of 2-[(2-hydroxy-5-piperidin-1-ylbenzoyl)amino]-4-(3-methylphenyl)benzoic acid?
2-[(2-hydroxy-5-piperidin-1-ylbenzoyl)amino]-4-(3-methylphenyl)benzoic acid has a molecular weight of 430.50 g/mol, XLogP of 5.31, 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-piperidin-1-ylbenzoyl)amino]-4-(3-methylphenyl)benzoic acid is sourced from PubChem (CID 66990742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).