[5-(4-bromophenyl)furan-2-yl]-(4-methylpiperazin-1-yl)methanone

C16H17BrN2O2 — CID 710700

IUPAC[5-(4-bromophenyl)furan-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)o2)CC1
InChIInChI=1S/C16H17BrN2O2/c1-18-8-10-19(11-9-18)16(20)15-7-6-14(21-15)12-2-4-13(17)5-3-12/h2-7H,8-11H2,1H3
InChIKeyQBWFMAFOUIMMOD-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.10
Rot. Bonds2

About [5-(4-bromophenyl)furan-2-yl]-(4-methylpiperazin-1-yl)methanone

[5-(4-bromophenyl)furan-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 710700) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is [5-(4-bromophenyl)furan-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-bromophenyl)furan-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID710700
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name[5-(4-bromophenyl)furan-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)o2)CC1
InChIInChI=1S/C16H17BrN2O2/c1-18-8-10-19(11-9-18)16(20)15-7-6-14(21-15)12-2-4-13(17)5-3-12/h2-7H,8-11H2,1H3
InChIKeyQBWFMAFOUIMMOD-UHFFFAOYSA-N
XLogP3.10
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)furan-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(4-bromophenyl)furan-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 710700) is [5-(4-bromophenyl)furan-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(4-bromophenyl)furan-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(4-bromophenyl)furan-2-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(-c3ccc(Br)cc3)o2)CC1.
What is the InChIKey of [5-(4-bromophenyl)furan-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is QBWFMAFOUIMMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-18-8-10-19(11-9-18)16(20)15-7-6-14(21-15)12-2-4-13(17)5-3-12/h2-7H,8-11H2,1H3.
What are the key properties of [5-(4-bromophenyl)furan-2-yl]-(4-methylpiperazin-1-yl)methanone?
[5-(4-bromophenyl)furan-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 349.23 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)furan-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 710700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).