1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one

C17H14BrNO4 — CID 90618264

IUPAC1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3ccc(Br)o3)CC2)c2ccccc21
InChIInChI=1S/C17H14BrNO4/c18-14-6-5-13(22-14)15(20)19-9-7-17(8-10-19)12-4-2-1-3-11(12)16(21)23-17/h1-6H,7-10H2
InChIKeyDFGYHNQOVFSHIW-UHFFFAOYSA-N
MW376.21 g/mol
LogP3.34
Rot. Bonds1

About 1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one

1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 90618264) has the molecular formula C17H14BrNO4 and a molecular weight of 376.21 g/mol. Its IUPAC name is 1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID90618264
Molecular FormulaC17H14BrNO4
Molecular Weight376.21 g/mol
Exact Mass375.01
IUPAC Name1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3ccc(Br)o3)CC2)c2ccccc21
InChIInChI=1S/C17H14BrNO4/c18-14-6-5-13(22-14)15(20)19-9-7-17(8-10-19)12-4-2-1-3-11(12)16(21)23-17/h1-6H,7-10H2
InChIKeyDFGYHNQOVFSHIW-UHFFFAOYSA-N
XLogP3.34
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-(4-phenoxybenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 121142406
1'-[4-(trifluoromethyl)benzoyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618118
4-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)benzonitrile
CID 90618069
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
[4,4-bis(1H-indol-3-yl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 20890461
N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)ethyl]benzamide
CID 90618254
1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 72719196
(5-bromofuran-2-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283148
(5-bromofuran-2-yl)-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)methanone
CID 110750128
1'-(1-methylpiperidine-4-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618206
1'-(2-phenoxyacetyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90618073
N-benzhydryl-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
CID 73168193

Frequently Asked Questions

What is the IUPAC name of 1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 90618264) is 1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(C(=O)c3ccc(Br)o3)CC2)c2ccccc21.
What is the InChIKey of 1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is DFGYHNQOVFSHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO4/c18-14-6-5-13(22-14)15(20)19-9-7-17(8-10-19)12-4-2-1-3-11(12)16(21)23-17/h1-6H,7-10H2.
What are the key properties of 1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 376.21 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-bromofuran-2-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 90618264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).