4-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-1-carboxylic acid

C14H15BrN2O3 — CID 68728547

IUPAC4-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2Cc3cc(Br)ccc3C2=O)CC1
InChIInChI=1S/C14H15BrN2O3/c15-10-1-2-12-9(7-10)8-17(13(12)18)11-3-5-16(6-4-11)14(19)20/h1-2,7,11H,3-6,8H2,(H,19,20)
InChIKeyGQYNXFOFIUOWJB-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.55
Rot. Bonds1

About 4-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-1-carboxylic acid

4-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-1-carboxylic acid (PubChem CID 68728547) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 4-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-1-carboxylic acid
PubChem CID68728547
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name4-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N2Cc3cc(Br)ccc3C2=O)CC1
InChIInChI=1S/C14H15BrN2O3/c15-10-1-2-12-9(7-10)8-17(13(12)18)11-3-5-16(6-4-11)14(19)20/h1-2,7,11H,3-6,8H2,(H,19,20)
InChIKeyGQYNXFOFIUOWJB-UHFFFAOYSA-N
XLogP2.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-1-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

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-1-carboxylic acid (CID 68728547) is 4-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(N2Cc3cc(Br)ccc3C2=O)CC1.
What is the InChIKey of 4-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-1-carboxylic acid?
The InChIKey is GQYNXFOFIUOWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c15-10-1-2-12-9(7-10)8-17(13(12)18)11-3-5-16(6-4-11)14(19)20/h1-2,7,11H,3-6,8H2,(H,19,20).
What are the key properties of 4-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-1-carboxylic acid?
4-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-1-carboxylic acid has a molecular weight of 339.19 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-3-oxo-1H-isoindol-2-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 68728547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).