(6-bromo-1-benzofuran-2-yl)-(4-methylpiperidin-1-yl)methanone

C15H16BrNO2 — CID 84576723

IUPAC(6-bromo-1-benzofuran-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc3ccc(Br)cc3o2)CC1
InChIInChI=1S/C15H16BrNO2/c1-10-4-6-17(7-5-10)15(18)14-8-11-2-3-12(16)9-13(11)19-14/h2-3,8-10H,4-7H2,1H3
InChIKeyQFVBLXMHBPZRPJ-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.07
Rot. Bonds1

About (6-bromo-1-benzofuran-2-yl)-(4-methylpiperidin-1-yl)methanone

(6-bromo-1-benzofuran-2-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 84576723) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is (6-bromo-1-benzofuran-2-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-bromo-1-benzofuran-2-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID84576723
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name(6-bromo-1-benzofuran-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc3ccc(Br)cc3o2)CC1
InChIInChI=1S/C15H16BrNO2/c1-10-4-6-17(7-5-10)15(18)14-8-11-2-3-12(16)9-13(11)19-14/h2-3,8-10H,4-7H2,1H3
InChIKeyQFVBLXMHBPZRPJ-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6-bromo-1-benzofuran-2-yl)-(4-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

1-[4-(6-bromo-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 84576524
N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 49264037
1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile
CID 49062183
(3,5-dimethylpiperidin-1-yl)-(6-methyl-1-benzofuran-2-yl)methanone
CID 84575451
2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
(5-bromo-2-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 65309140
(5-bromo-1-benzofuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 97014745
(5-bromo-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 52877254
[1-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 60550137
(4-aminopiperidin-1-yl)-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119373219
(5-aminopyrazol-1-yl)-(6-bromo-1-benzofuran-2-yl)methanone
CID 112524566
(6-methoxy-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 171781643

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1-benzofuran-2-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (6-bromo-1-benzofuran-2-yl)-(4-methylpiperidin-1-yl)methanone (CID 84576723) is (6-bromo-1-benzofuran-2-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-bromo-1-benzofuran-2-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (6-bromo-1-benzofuran-2-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc3ccc(Br)cc3o2)CC1.
What is the InChIKey of (6-bromo-1-benzofuran-2-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is QFVBLXMHBPZRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10-4-6-17(7-5-10)15(18)14-8-11-2-3-12(16)9-13(11)19-14/h2-3,8-10H,4-7H2,1H3.
What are the key properties of (6-bromo-1-benzofuran-2-yl)-(4-methylpiperidin-1-yl)methanone?
(6-bromo-1-benzofuran-2-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 322.20 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1-benzofuran-2-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 84576723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).