(5-bromofuran-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone

C11H15BrN2O2 — CID 65462950

IUPAC(5-bromofuran-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CNCCN1C(=O)c1ccc(Br)o1
InChIInChI=1S/C11H15BrN2O2/c1-11(2)7-13-5-6-14(11)10(15)8-3-4-9(12)16-8/h3-4,13H,5-7H2,1-2H3
InChIKeyYXMCLGVZEMIPJV-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.87
Rot. Bonds1

About (5-bromofuran-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone

(5-bromofuran-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone (PubChem CID 65462950) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone
PubChem CID65462950
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name(5-bromofuran-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone
SMILESCC1(C)CNCCN1C(=O)c1ccc(Br)o1
InChIInChI=1S/C11H15BrN2O2/c1-11(2)7-13-5-6-14(11)10(15)8-3-4-9(12)16-8/h3-4,13H,5-7H2,1-2H3
InChIKeyYXMCLGVZEMIPJV-UHFFFAOYSA-N
XLogP1.87
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone (CID 65462950) is (5-bromofuran-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone is CC1(C)CNCCN1C(=O)c1ccc(Br)o1.
What is the InChIKey of (5-bromofuran-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone?
The InChIKey is YXMCLGVZEMIPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-11(2)7-13-5-6-14(11)10(15)8-3-4-9(12)16-8/h3-4,13H,5-7H2,1-2H3.
What are the key properties of (5-bromofuran-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone?
(5-bromofuran-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone has a molecular weight of 287.16 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 65462950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).