3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid

C17H18BrNO4 — CID 69224206

IUPAC3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccoc2)C(OCc2ccc(Br)cc2)C1
InChIInChI=1S/C17H18BrNO4/c18-14-3-1-12(2-4-14)10-23-16-9-19(17(20)21)7-5-15(16)13-6-8-22-11-13/h1-4,6,8,11,15-16H,5,7,9-10H2,(H,20,21)
InChIKeyWFRQPIDOYFYCHX-UHFFFAOYSA-N
MW380.24 g/mol
LogP4.09
Rot. Bonds4

About 3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid

3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid (PubChem CID 69224206) has the molecular formula C17H18BrNO4 and a molecular weight of 380.24 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid
PubChem CID69224206
Molecular FormulaC17H18BrNO4
Molecular Weight380.24 g/mol
Exact Mass379.04
IUPAC Name3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccoc2)C(OCc2ccc(Br)cc2)C1
InChIInChI=1S/C17H18BrNO4/c18-14-3-1-12(2-4-14)10-23-16-9-19(17(20)21)7-5-15(16)13-6-8-22-11-13/h1-4,6,8,11,15-16H,5,7,9-10H2,(H,20,21)
InChIKeyWFRQPIDOYFYCHX-UHFFFAOYSA-N
XLogP4.09
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-bromophenyl)methoxy]-4-(furan-3-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 3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid?
The IUPAC name of 3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid (CID 69224206) is 3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(c2ccoc2)C(OCc2ccc(Br)cc2)C1.
What is the InChIKey of 3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid?
The InChIKey is WFRQPIDOYFYCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO4/c18-14-3-1-12(2-4-14)10-23-16-9-19(17(20)21)7-5-15(16)13-6-8-22-11-13/h1-4,6,8,11,15-16H,5,7,9-10H2,(H,20,21).
What are the key properties of 3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid?
3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid has a molecular weight of 380.24 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methoxy]-4-(furan-3-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 69224206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).