(3R)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-3-carboxylic acid

C13H13I2NO4 — CID 81119717

IUPAC(3R)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2cc(I)cc(I)c2O)C1
InChIInChI=1S/C13H13I2NO4/c14-8-4-9(11(17)10(15)5-8)12(18)16-3-1-2-7(6-16)13(19)20/h4-5,7,17H,1-3,6H2,(H,19,20)/t7-/m1/s1
InChIKeyHPYXCKIOSRLWLM-SSDOTTSWSA-N
MW501.06 g/mol
LogP2.54
Rot. Bonds2

About (3R)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-3-carboxylic acid

(3R)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-3-carboxylic acid (PubChem CID 81119717) has the molecular formula C13H13I2NO4 and a molecular weight of 501.06 g/mol. Its IUPAC name is (3R)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-3-carboxylic acid
PubChem CID81119717
Molecular FormulaC13H13I2NO4
Molecular Weight501.06 g/mol
Exact Mass500.89
IUPAC Name(3R)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2cc(I)cc(I)c2O)C1
InChIInChI=1S/C13H13I2NO4/c14-8-4-9(11(17)10(15)5-8)12(18)16-3-1-2-7(6-16)13(19)20/h4-5,7,17H,1-3,6H2,(H,19,20)/t7-/m1/s1
InChIKeyHPYXCKIOSRLWLM-SSDOTTSWSA-N
XLogP2.54
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.06
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(2,3,5-triiodobenzoyl)piperidine-3-carboxylic acid
CID 81125455
(2S)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-2-carboxylic acid
CID 66264253
(3S)-1-(2,5-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107721752
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767
1-(2,5-dimethylthiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 43355862
1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107727974
(3S)-1-(2-chloro-4,5-dimethylbenzoyl)piperidine-3-carboxylic acid
CID 120514108
(3S)-1-(2,4,5-trimethoxybenzoyl)piperidine-3-carboxylic acid
CID 119113499
1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid
CID 43355913
(2-hydroxy-3,5-diiodophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 63402925
[2-(2-hydroxy-3,5-diiodophenyl)-2-oxoethyl] piperidine-1-carbodithioate
CID 11763328
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-3-carboxylic acid (CID 81119717) is (3R)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)c2cc(I)cc(I)c2O)C1.
What is the InChIKey of (3R)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-3-carboxylic acid?
The InChIKey is HPYXCKIOSRLWLM-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H13I2NO4/c14-8-4-9(11(17)10(15)5-8)12(18)16-3-1-2-7(6-16)13(19)20/h4-5,7,17H,1-3,6H2,(H,19,20)/t7-/m1/s1.
What are the key properties of (3R)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-3-carboxylic acid?
(3R)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-3-carboxylic acid has a molecular weight of 501.06 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81119717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).