1-[(2-bromo-6-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid

C13H14BrFN2O3 — CID 107601918

IUPAC1-[(2-bromo-6-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Nc2c(F)cccc2Br)C1
InChIInChI=1S/C13H14BrFN2O3/c14-9-4-1-5-10(15)11(9)16-13(20)17-6-2-3-8(7-17)12(18)19/h1,4-5,8H,2-3,6-7H2,(H,16,20)(H,18,19)
InChIKeyUZTQKQPEZLOCEM-UHFFFAOYSA-N
MW345.17 g/mol
LogP2.92
Rot. Bonds2

About 1-[(2-bromo-6-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid

1-[(2-bromo-6-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 107601918) has the molecular formula C13H14BrFN2O3 and a molecular weight of 345.17 g/mol. Its IUPAC name is 1-[(2-bromo-6-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-bromo-6-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID107601918
Molecular FormulaC13H14BrFN2O3
Molecular Weight345.17 g/mol
Exact Mass344.02
IUPAC Name1-[(2-bromo-6-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Nc2c(F)cccc2Br)C1
InChIInChI=1S/C13H14BrFN2O3/c14-9-4-1-5-10(15)11(9)16-13(20)17-6-2-3-8(7-17)12(18)19/h1,4-5,8H,2-3,6-7H2,(H,16,20)(H,18,19)
InChIKeyUZTQKQPEZLOCEM-UHFFFAOYSA-N
XLogP2.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.17
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2-bromo-6-fluorophenyl)carbamoyl]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-[(2-bromo-4,6-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43347865
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
(3R)-1-[(2,4,6-tribromophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81127096
(3S)-1-[(2,4,6-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81119479
(3S)-1-[(2,6-dibromo-4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120967
1-[(2-bromo-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318584
(3S)-1-(3-bromo-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 107949380
1-[(4-bromo-2,6-dimethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318320
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
1-[(2,6-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101826
2-(azocane-1-carbonylamino)-3-fluorobenzoic acid
CID 81498589
(3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121037

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-6-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-bromo-6-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid (CID 107601918) is 1-[(2-bromo-6-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-bromo-6-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-bromo-6-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)Nc2c(F)cccc2Br)C1.
What is the InChIKey of 1-[(2-bromo-6-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is UZTQKQPEZLOCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O3/c14-9-4-1-5-10(15)11(9)16-13(20)17-6-2-3-8(7-17)12(18)19/h1,4-5,8H,2-3,6-7H2,(H,16,20)(H,18,19).
What are the key properties of 1-[(2-bromo-6-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
1-[(2-bromo-6-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 345.17 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-6-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 107601918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).