2-(2-iodophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone

C21H20INO2 — CID 44611595

IUPAC2-(2-iodophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
SMILESO=C(COc1ccccc1I)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C21H20INO2/c22-18-7-3-4-8-19(18)25-15-20(24)23-13-11-21(12-14-23)10-9-16-5-1-2-6-17(16)21/h1-10H,11-15H2
InChIKeyFWSAJRALIGYNNZ-UHFFFAOYSA-N
MW445.30 g/mol
LogP4.26
Rot. Bonds3

About 2-(2-iodophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone

2-(2-iodophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone (PubChem CID 44611595) has the molecular formula C21H20INO2 and a molecular weight of 445.30 g/mol. Its IUPAC name is 2-(2-iodophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone.

Molecular Properties

Compound Name2-(2-iodophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
PubChem CID44611595
Molecular FormulaC21H20INO2
Molecular Weight445.30 g/mol
Exact Mass445.05
IUPAC Name2-(2-iodophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
SMILESO=C(COc1ccccc1I)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C21H20INO2/c22-18-7-3-4-8-19(18)25-15-20(24)23-13-11-21(12-14-23)10-9-16-5-1-2-6-17(16)21/h1-10H,11-15H2
InChIKeyFWSAJRALIGYNNZ-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dichlorophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
CID 44611733
2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 61400060
2,2-dimethyl-1-spiro[indene-1,4'-piperidine]-1'-ylpropan-1-one
CID 21307058
2-(2-iodophenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 38880193
5-methyl-5-(3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidin-2-one
CID 45214344
1-(2-chlorospiro[indene-1,4'-piperidine]-1'-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 44611987
[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 166368124
1-(2-naphthalen-1-yloxyacetyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433455
2-(2-chlorophenoxy)-1-[4-(2-iodobenzoyl)piperazin-1-yl]ethanone
CID 55916292
1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-(2-fluorophenoxy)ethanone
CID 131702362
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]spiro[indene-1,4'-piperidine]-1'-carboxamide
CID 125440620
(3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 72903177

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone?
The IUPAC name of 2-(2-iodophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone (CID 44611595) is 2-(2-iodophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone.
What is the SMILES notation for 2-(2-iodophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone?
The canonical SMILES for 2-(2-iodophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone is O=C(COc1ccccc1I)N1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of 2-(2-iodophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone?
The InChIKey is FWSAJRALIGYNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20INO2/c22-18-7-3-4-8-19(18)25-15-20(24)23-13-11-21(12-14-23)10-9-16-5-1-2-6-17(16)21/h1-10H,11-15H2.
What are the key properties of 2-(2-iodophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone?
2-(2-iodophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone has a molecular weight of 445.30 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenoxy)-1-spiro[indene-1,4'-piperidine]-1'-ylethanone is sourced from PubChem (CID 44611595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).