2-[2-hydroxy-4-[(3-methylpiperidin-1-yl)amino]benzoyl]benzoic acid

C20H22N2O4 — CID 70253415

IUPAC2-[2-hydroxy-4-[(3-methylpiperidin-1-yl)amino]benzoyl]benzoic acid
SMILESCC1CCCN(Nc2ccc(C(=O)c3ccccc3C(=O)O)c(O)c2)C1
InChIInChI=1S/C20H22N2O4/c1-13-5-4-10-22(12-13)21-14-8-9-17(18(23)11-14)19(24)15-6-2-3-7-16(15)20(25)26/h2-3,6-9,11,13,21,23H,4-5,10,12H2,1H3,(H,25,26)
InChIKeyCFAODWPHGGMKPQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.38
Rot. Bonds5

About 2-[2-hydroxy-4-[(3-methylpiperidin-1-yl)amino]benzoyl]benzoic acid

2-[2-hydroxy-4-[(3-methylpiperidin-1-yl)amino]benzoyl]benzoic acid (PubChem CID 70253415) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[2-hydroxy-4-[(3-methylpiperidin-1-yl)amino]benzoyl]benzoic acid.

Molecular Properties

Compound Name2-[2-hydroxy-4-[(3-methylpiperidin-1-yl)amino]benzoyl]benzoic acid
PubChem CID70253415
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-[2-hydroxy-4-[(3-methylpiperidin-1-yl)amino]benzoyl]benzoic acid
SMILESCC1CCCN(Nc2ccc(C(=O)c3ccccc3C(=O)O)c(O)c2)C1
InChIInChI=1S/C20H22N2O4/c1-13-5-4-10-22(12-13)21-14-8-9-17(18(23)11-14)19(24)15-6-2-3-7-16(15)20(25)26/h2-3,6-9,11,13,21,23H,4-5,10,12H2,1H3,(H,25,26)
InChIKeyCFAODWPHGGMKPQ-UHFFFAOYSA-N
XLogP3.38
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-hydroxy-4-(3-methylpyrrolidin-1-yl)benzoyl]benzoic acid
CID 57277820
2-[2-hydroxy-4-(4-methylanilino)benzoyl]benzoic acid
CID 21406390
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
2-(2-hydroxy-4-phenylbenzoyl)benzoic acid
CID 18006881
2-[4-(dimethylamino)-2-hydroxybenzoyl]benzoic acid
CID 655619
2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 29297612
5-[(2-methylbenzoyl)amino]-2-(3-methylpiperidin-1-yl)benzoic acid
CID 50807443
5-benzamido-2-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 94083660
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 61207094
2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 63652481
N-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
CID 78847493
5-[(2-fluorobenzoyl)amino]-2-(3-methylpiperidin-1-yl)benzoic acid
CID 50807442

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-4-[(3-methylpiperidin-1-yl)amino]benzoyl]benzoic acid?
The IUPAC name of 2-[2-hydroxy-4-[(3-methylpiperidin-1-yl)amino]benzoyl]benzoic acid (CID 70253415) is 2-[2-hydroxy-4-[(3-methylpiperidin-1-yl)amino]benzoyl]benzoic acid.
What is the SMILES notation for 2-[2-hydroxy-4-[(3-methylpiperidin-1-yl)amino]benzoyl]benzoic acid?
The canonical SMILES for 2-[2-hydroxy-4-[(3-methylpiperidin-1-yl)amino]benzoyl]benzoic acid is CC1CCCN(Nc2ccc(C(=O)c3ccccc3C(=O)O)c(O)c2)C1.
What is the InChIKey of 2-[2-hydroxy-4-[(3-methylpiperidin-1-yl)amino]benzoyl]benzoic acid?
The InChIKey is CFAODWPHGGMKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13-5-4-10-22(12-13)21-14-8-9-17(18(23)11-14)19(24)15-6-2-3-7-16(15)20(25)26/h2-3,6-9,11,13,21,23H,4-5,10,12H2,1H3,(H,25,26).
What are the key properties of 2-[2-hydroxy-4-[(3-methylpiperidin-1-yl)amino]benzoyl]benzoic acid?
2-[2-hydroxy-4-[(3-methylpiperidin-1-yl)amino]benzoyl]benzoic acid has a molecular weight of 354.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-4-[(3-methylpiperidin-1-yl)amino]benzoyl]benzoic acid is sourced from PubChem (CID 70253415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).