1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid

C13H15NO5 — CID 107727974

IUPAC1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2ccc(O)c(O)c2)C1
InChIInChI=1S/C13H15NO5/c15-10-4-3-8(6-11(10)16)12(17)14-5-1-2-9(7-14)13(18)19/h3-4,6,9,15-16H,1-2,5,7H2,(H,18,19)
InChIKeyOEVUKGOADFZCGL-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.03
Rot. Bonds2

About 1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid

1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid (PubChem CID 107727974) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid
PubChem CID107727974
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2ccc(O)c(O)c2)C1
InChIInChI=1S/C13H15NO5/c15-10-4-3-8(6-11(10)16)12(17)14-5-1-2-9(7-14)13(18)19/h3-4,6,9,15-16H,1-2,5,7H2,(H,18,19)
InChIKeyOEVUKGOADFZCGL-UHFFFAOYSA-N
XLogP1.03
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic 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

1-(3,4-dihydroxybenzoyl)azetidine-3-carboxylic acid
CID 107728109
1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103956056
(3,4-dihydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300644
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
(3S)-1-(3-aminobenzoyl)piperidine-3-carboxylic acid
CID 81125780
(3S)-1-(2,5-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107721752
1-(3-chloro-4-hydroxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63006768
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767
1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid
CID 16774326
1-(3-bromo-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 43241951
1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid
CID 61157537

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid (CID 107727974) is 1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2ccc(O)c(O)c2)C1.
What is the InChIKey of 1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid?
The InChIKey is OEVUKGOADFZCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c15-10-4-3-8(6-11(10)16)12(17)14-5-1-2-9(7-14)13(18)19/h3-4,6,9,15-16H,1-2,5,7H2,(H,18,19).
What are the key properties of 1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid?
1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 107727974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).