2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid

C14H18N2O5 — CID 102963077

IUPAC2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
SMILESCOC1CCCN(C(=O)Nc2cccc(C(=O)O)c2O)C1
InChIInChI=1S/C14H18N2O5/c1-21-9-4-3-7-16(8-9)14(20)15-11-6-2-5-10(12(11)17)13(18)19/h2,5-6,9,17H,3-4,7-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyNYTGLMAQTANEAV-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.73
Rot. Bonds3

About 2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid

2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid (PubChem CID 102963077) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
PubChem CID102963077
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
SMILESCOC1CCCN(C(=O)Nc2cccc(C(=O)O)c2O)C1
InChIInChI=1S/C14H18N2O5/c1-21-9-4-3-7-16(8-9)14(20)15-11-6-2-5-10(12(11)17)13(18)19/h2,5-6,9,17H,3-4,7-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyNYTGLMAQTANEAV-UHFFFAOYSA-N
XLogP1.73
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-aminopiperidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 104833568
4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 102962894
2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 104833442
2-hydroxy-3-(1,4-oxazepane-4-carbonylamino)benzoic acid
CID 104833689
2-hydroxy-3-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 104833768
2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]benzoic acid
CID 103932666
N-(4-fluoro-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 118763399
N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 118788092
(3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 124606170
N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxypiperidine-1-carboxamide
CID 72904270
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid
CID 102962888
(3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide
CID 125176909

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid (CID 102963077) is 2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid is COC1CCCN(C(=O)Nc2cccc(C(=O)O)c2O)C1.
What is the InChIKey of 2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid?
The InChIKey is NYTGLMAQTANEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-21-9-4-3-7-16(8-9)14(20)15-11-6-2-5-10(12(11)17)13(18)19/h2,5-6,9,17H,3-4,7-8H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid?
2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid has a molecular weight of 294.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 102963077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).