(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone

C15H17BrN2O2 — CID 1248175

IUPAC(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(C)CC2)oc2ccc(Br)cc12
InChIInChI=1S/C15H17BrN2O2/c1-10-12-9-11(16)3-4-13(12)20-14(10)15(19)18-7-5-17(2)6-8-18/h3-4,9H,5-8H2,1-2H3
InChIKeyQJHUHCHPUMHUJC-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.89
Rot. Bonds1

About (5-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone

(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 1248175) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is (5-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID1248175
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1c(C(=O)N2CCN(C)CC2)oc2ccc(Br)cc12
InChIInChI=1S/C15H17BrN2O2/c1-10-12-9-11(16)3-4-13(12)20-14(10)15(19)18-7-5-17(2)6-8-18/h3-4,9H,5-8H2,1-2H3
InChIKeyQJHUHCHPUMHUJC-UHFFFAOYSA-N
XLogP2.89
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 1248175) is (5-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone is Cc1c(C(=O)N2CCN(C)CC2)oc2ccc(Br)cc12.
What is the InChIKey of (5-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is QJHUHCHPUMHUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10-12-9-11(16)3-4-13(12)20-14(10)15(19)18-7-5-17(2)6-8-18/h3-4,9H,5-8H2,1-2H3.
What are the key properties of (5-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone?
(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 337.22 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 1248175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).