1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one

C19H16INO3 — CID 90618707

IUPAC1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1OC2(CCCN(C(=O)c3cccc(I)c3)C2)c2ccccc21
InChIInChI=1S/C19H16INO3/c20-14-6-3-5-13(11-14)17(22)21-10-4-9-19(12-21)16-8-2-1-7-15(16)18(23)24-19/h1-3,5-8,11H,4,9-10,12H2
InChIKeyWBEHKXNMQWRGMD-UHFFFAOYSA-N
MW433.25 g/mol
LogP3.59
Rot. Bonds1

About 1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one

1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (PubChem CID 90618707) has the molecular formula C19H16INO3 and a molecular weight of 433.25 g/mol. Its IUPAC name is 1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
PubChem CID90618707
Molecular FormulaC19H16INO3
Molecular Weight433.25 g/mol
Exact Mass433.02
IUPAC Name1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1OC2(CCCN(C(=O)c3cccc(I)c3)C2)c2ccccc21
InChIInChI=1S/C19H16INO3/c20-14-6-3-5-13(11-14)17(22)21-10-4-9-19(12-21)16-8-2-1-7-15(16)18(23)24-19/h1-3,5-8,11H,4,9-10,12H2
InChIKeyWBEHKXNMQWRGMD-UHFFFAOYSA-N
XLogP3.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.25
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1'-(pyridine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618442
1'-(1H-indole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618618
1'-[4-(4-fluorophenyl)benzoyl]spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 121142434
(3S)-1'-(2-methyl-1,3-benzothiazole-6-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 99883017
N-[4-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carbonyl)phenyl]acetamide
CID 90618591
1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618692
1-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione
CID 121142455
1'-(2-oxochromene-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 90618507
(3R)-1'-[3-(4-chlorophenoxy)benzoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 11560793
1'-(3-methylbut-2-enoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 121142469
1'-(1-methyl-6-oxopyridazine-3-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
CID 72719224
tert-butyl (1S)-3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-carboxylate
CID 99872278

Frequently Asked Questions

What is the IUPAC name of 1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The IUPAC name of 1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (CID 90618707) is 1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.
What is the SMILES notation for 1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The canonical SMILES for 1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is O=C1OC2(CCCN(C(=O)c3cccc(I)c3)C2)c2ccccc21.
What is the InChIKey of 1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The InChIKey is WBEHKXNMQWRGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16INO3/c20-14-6-3-5-13(11-14)17(22)21-10-4-9-19(12-21)16-8-2-1-7-15(16)18(23)24-19/h1-3,5-8,11H,4,9-10,12H2.
What are the key properties of 1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one has a molecular weight of 433.25 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-iodobenzoyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is sourced from PubChem (CID 90618707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).