2-[[2-hydroxy-5-(piperidin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid

C26H26N2O4 — CID 58508690

IUPAC2-[[2-hydroxy-5-(piperidin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid
SMILESO=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1cc(CN2CCCCC2)ccc1O
InChIInChI=1S/C26H26N2O4/c29-24-12-9-18(17-28-13-5-2-6-14-28)15-22(24)25(30)27-23-16-20(10-11-21(23)26(31)32)19-7-3-1-4-8-19/h1,3-4,7-12,15-16,29H,2,5-6,13-14,17H2,(H,27,30)(H,31,32)
InChIKeyTXYPNGSATKQZSO-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.00
Rot. Bonds6

About 2-[[2-hydroxy-5-(piperidin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid

2-[[2-hydroxy-5-(piperidin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid (PubChem CID 58508690) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 2-[[2-hydroxy-5-(piperidin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid.

Molecular Properties

Compound Name2-[[2-hydroxy-5-(piperidin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid
PubChem CID58508690
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name2-[[2-hydroxy-5-(piperidin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid
SMILESO=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1cc(CN2CCCCC2)ccc1O
InChIInChI=1S/C26H26N2O4/c29-24-12-9-18(17-28-13-5-2-6-14-28)15-22(24)25(30)27-23-16-20(10-11-21(23)26(31)32)19-7-3-1-4-8-19/h1,3-4,7-12,15-16,29H,2,5-6,13-14,17H2,(H,27,30)(H,31,32)
InChIKeyTXYPNGSATKQZSO-UHFFFAOYSA-N
XLogP5.00
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-hydroxy-5-(morpholin-4-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid
CID 87227519
2-[[2-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-4-phenylbenzoic acid
CID 58508844
2-[[5-[(4-aminopiperidin-1-yl)methyl]-2-hydroxybenzoyl]amino]-4-phenylbenzoic acid
CID 58508901
2-[[2-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-4-phenylbenzoic acid;methanesulfonic acid
CID 87227174
2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid
CID 167346908
2-[(2-hydroxy-5-piperidin-1-ylbenzoyl)amino]-4-(3-methylphenyl)benzoic acid
CID 66990742
2-[(2-hydroxy-5-phenoxybenzoyl)amino]-4-phenylbenzoic acid
CID 58508485
2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-phenylbenzoic acid
CID 58508448
N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 59627322
tert-butyl 2-[[5-(bromomethyl)-2-ethoxybenzoyl]amino]-4-phenylbenzoate;tert-butyl 4-[[4-ethoxy-3-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylphenyl]carbamoyl]phenyl]methyl]piperazine-1-carboxylate;2-[[2-hydroxy-5-(piperazin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid
CID 161259450
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853577
tert-butyl 4-[2-[4-hydroxy-3-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylphenyl]carbamoyl]phenyl]ethyl]piperazine-1-carboxylate
CID 58508746

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-5-(piperidin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid?
The IUPAC name of 2-[[2-hydroxy-5-(piperidin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid (CID 58508690) is 2-[[2-hydroxy-5-(piperidin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid.
What is the SMILES notation for 2-[[2-hydroxy-5-(piperidin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid?
The canonical SMILES for 2-[[2-hydroxy-5-(piperidin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid is O=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1cc(CN2CCCCC2)ccc1O.
What is the InChIKey of 2-[[2-hydroxy-5-(piperidin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid?
The InChIKey is TXYPNGSATKQZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c29-24-12-9-18(17-28-13-5-2-6-14-28)15-22(24)25(30)27-23-16-20(10-11-21(23)26(31)32)19-7-3-1-4-8-19/h1,3-4,7-12,15-16,29H,2,5-6,13-14,17H2,(H,27,30)(H,31,32).
What are the key properties of 2-[[2-hydroxy-5-(piperidin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid?
2-[[2-hydroxy-5-(piperidin-1-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid has a molecular weight of 430.50 g/mol, XLogP of 5.00, 6 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-ylmethyl)benzoyl]amino]-4-phenylbenzoic acid is sourced from PubChem (CID 58508690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).