1-[(4,5-dibromofuran-2-yl)methyl]piperidine-4-carboxylic acid

C11H13Br2NO3 — CID 65056412

IUPAC1-[(4,5-dibromofuran-2-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cc(Br)c(Br)o2)CC1
InChIInChI=1S/C11H13Br2NO3/c12-9-5-8(17-10(9)13)6-14-3-1-7(2-4-14)11(15)16/h5,7H,1-4,6H2,(H,15,16)
InChIKeyKHJGXYORLOPTDT-UHFFFAOYSA-N
MW367.04 g/mol
LogP3.10
Rot. Bonds3

About 1-[(4,5-dibromofuran-2-yl)methyl]piperidine-4-carboxylic acid

1-[(4,5-dibromofuran-2-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 65056412) has the molecular formula C11H13Br2NO3 and a molecular weight of 367.04 g/mol. Its IUPAC name is 1-[(4,5-dibromofuran-2-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4,5-dibromofuran-2-yl)methyl]piperidine-4-carboxylic acid
PubChem CID65056412
Molecular FormulaC11H13Br2NO3
Molecular Weight367.04 g/mol
Exact Mass364.93
IUPAC Name1-[(4,5-dibromofuran-2-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cc(Br)c(Br)o2)CC1
InChIInChI=1S/C11H13Br2NO3/c12-9-5-8(17-10(9)13)6-14-3-1-7(2-4-14)11(15)16/h5,7H,1-4,6H2,(H,15,16)
InChIKeyKHJGXYORLOPTDT-UHFFFAOYSA-N
XLogP3.10
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.04
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4,5-dibromofuran-2-yl)methyl]piperidine-4-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 1-[(4,5-dibromofuran-2-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4,5-dibromofuran-2-yl)methyl]piperidine-4-carboxylic acid (CID 65056412) is 1-[(4,5-dibromofuran-2-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4,5-dibromofuran-2-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4,5-dibromofuran-2-yl)methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2cc(Br)c(Br)o2)CC1.
What is the InChIKey of 1-[(4,5-dibromofuran-2-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is KHJGXYORLOPTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO3/c12-9-5-8(17-10(9)13)6-14-3-1-7(2-4-14)11(15)16/h5,7H,1-4,6H2,(H,15,16).
What are the key properties of 1-[(4,5-dibromofuran-2-yl)methyl]piperidine-4-carboxylic acid?
1-[(4,5-dibromofuran-2-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 367.04 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dibromofuran-2-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 65056412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).