[5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone

C16H16BrNO2 — CID 50849651

IUPAC[5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccccc2Br)o1)N1CCCCC1
InChIInChI=1S/C16H16BrNO2/c17-13-7-3-2-6-12(13)14-8-9-15(20-14)16(19)18-10-4-1-5-11-18/h2-3,6-9H,1,4-5,10-11H2
InChIKeyUWRZQIDMVZFIOP-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.34
Rot. Bonds2

About [5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone

[5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone (PubChem CID 50849651) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is [5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone
PubChem CID50849651
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name[5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccccc2Br)o1)N1CCCCC1
InChIInChI=1S/C16H16BrNO2/c17-13-7-3-2-6-12(13)14-8-9-15(20-14)16(19)18-10-4-1-5-11-18/h2-3,6-9H,1,4-5,10-11H2
InChIKeyUWRZQIDMVZFIOP-UHFFFAOYSA-N
XLogP4.34
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone 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 [5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone (CID 50849651) is [5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone is O=C(c1ccc(-c2ccccc2Br)o1)N1CCCCC1.
What is the InChIKey of [5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone?
The InChIKey is UWRZQIDMVZFIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c17-13-7-3-2-6-12(13)14-8-9-15(20-14)16(19)18-10-4-1-5-11-18/h2-3,6-9H,1,4-5,10-11H2.
What are the key properties of [5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone?
[5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone has a molecular weight of 334.21 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromophenyl)furan-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 50849651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).