(2R)-1-(3-bromothiophene-2-carbonyl)piperidine-2-carboxylic acid

C11H12BrNO3S — CID 79034454

IUPAC(2R)-1-(3-bromothiophene-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1sccc1Br
InChIInChI=1S/C11H12BrNO3S/c12-7-4-6-17-9(7)10(14)13-5-2-1-3-8(13)11(15)16/h4,6,8H,1-3,5H2,(H,15,16)/t8-/m1/s1
InChIKeyHYZHYTSIPZHOEJ-MRVPVSSYSA-N
MW318.19 g/mol
LogP2.59
Rot. Bonds2

About (2R)-1-(3-bromothiophene-2-carbonyl)piperidine-2-carboxylic acid

(2R)-1-(3-bromothiophene-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 79034454) has the molecular formula C11H12BrNO3S and a molecular weight of 318.19 g/mol. Its IUPAC name is (2R)-1-(3-bromothiophene-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3-bromothiophene-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID79034454
Molecular FormulaC11H12BrNO3S
Molecular Weight318.19 g/mol
Exact Mass316.97
IUPAC Name(2R)-1-(3-bromothiophene-2-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1sccc1Br
InChIInChI=1S/C11H12BrNO3S/c12-7-4-6-17-9(7)10(14)13-5-2-1-3-8(13)11(15)16/h4,6,8H,1-3,5H2,(H,15,16)/t8-/m1/s1
InChIKeyHYZHYTSIPZHOEJ-MRVPVSSYSA-N
XLogP2.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(3-bromothiophene-2-carbonyl)piperidine-2-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

(2S)-1-(3-ethylthiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 66264413
1-(3-bromothiophene-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 63374706
(2S)-1-(3-methoxythiophene-2-carbonyl)piperidine-2-carboxylic acid
CID 81126515
(2R,3R)-1-(3-bromothiophene-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122115284
(2R)-1-[3-(methoxymethyl)thiophene-2-carbonyl]piperidine-2-carboxylic acid
CID 120537327
1-(3-methoxythiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 81117693
(3-bromothiophen-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261291
(3-bromothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 63086030
1-(3-bromothiophene-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083668
1-(5-bromothiophene-3-carbonyl)azepane-2-carboxylic acid
CID 64560879
(2R)-1-(4-bromo-3-hydroxybenzoyl)piperidine-2-carboxylic acid
CID 114103310
(2S)-1-(2,5-dibromothiophene-3-carbonyl)piperidine-2-carboxylic acid
CID 107949313

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-bromothiophene-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3-bromothiophene-2-carbonyl)piperidine-2-carboxylic acid (CID 79034454) is (2R)-1-(3-bromothiophene-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3-bromothiophene-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3-bromothiophene-2-carbonyl)piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)c1sccc1Br.
What is the InChIKey of (2R)-1-(3-bromothiophene-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is HYZHYTSIPZHOEJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12BrNO3S/c12-7-4-6-17-9(7)10(14)13-5-2-1-3-8(13)11(15)16/h4,6,8H,1-3,5H2,(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-1-(3-bromothiophene-2-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(3-bromothiophene-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 318.19 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-bromothiophene-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 79034454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).