(5-bromo-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone

C15H16BrNO2 — CID 18108081

IUPAC(5-bromo-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCCC2)oc2ccc(Br)cc12
InChIInChI=1S/C15H16BrNO2/c1-10-12-9-11(16)5-6-13(12)19-14(10)15(18)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8H2,1H3
InChIKeyKPKVEJOZJFTQMM-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.13
Rot. Bonds1

About (5-bromo-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone

(5-bromo-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone (PubChem CID 18108081) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is (5-bromo-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-bromo-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
PubChem CID18108081
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name(5-bromo-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCCC2)oc2ccc(Br)cc12
InChIInChI=1S/C15H16BrNO2/c1-10-12-9-11(16)5-6-13(12)19-14(10)15(18)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8H2,1H3
InChIKeyKPKVEJOZJFTQMM-UHFFFAOYSA-N
XLogP4.13
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone (CID 18108081) is (5-bromo-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-bromo-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-bromo-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone is Cc1c(C(=O)N2CCCCC2)oc2ccc(Br)cc12.
What is the InChIKey of (5-bromo-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
The InChIKey is KPKVEJOZJFTQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10-12-9-11(16)5-6-13(12)19-14(10)15(18)17-7-3-2-4-8-17/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of (5-bromo-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone?
(5-bromo-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone has a molecular weight of 322.20 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 18108081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).