1-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(1H-indol-3-yl)ethanone

C25H27FN2O3 — CID 154582269

IUPAC1-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CC2(CC(CCOCc3ccccc3F)CO2)C1
InChIInChI=1S/C25H27FN2O3/c26-22-7-3-1-5-19(22)15-30-10-9-18-12-25(31-14-18)16-28(17-25)24(29)11-20-13-27-23-8-4-2-6-21(20)23/h1-8,13,18,27H,9-12,14-17H2
InChIKeyMUUDABXBMODLJG-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.07
Rot. Bonds7

About 1-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(1H-indol-3-yl)ethanone

1-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 154582269) has the molecular formula C25H27FN2O3 and a molecular weight of 422.50 g/mol. Its IUPAC name is 1-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID154582269
Molecular FormulaC25H27FN2O3
Molecular Weight422.50 g/mol
Exact Mass422.20
IUPAC Name1-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CC2(CC(CCOCc3ccccc3F)CO2)C1
InChIInChI=1S/C25H27FN2O3/c26-22-7-3-1-5-19(22)15-30-10-9-18-12-25(31-14-18)16-28(17-25)24(29)11-20-13-27-23-8-4-2-6-21(20)23/h1-8,13,18,27H,9-12,14-17H2
InChIKeyMUUDABXBMODLJG-UHFFFAOYSA-N
XLogP4.07
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 154582309
7-[2-[(2-fluorophenyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
CID 155881267
7-[2-[(2-fluorophenyl)methoxy]ethyl]-2-[(5-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octane
CID 155880612
(2-fluorophenyl)methyl 2-(1H-indol-3-yl)acetate
CID 7665649
N-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide
CID 47065618
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
2-(1H-indol-3-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 91918074
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781
1-[7-(2-fluorophenyl)-1,1-dioxo-1,4-thiazepan-4-yl]-2-(1H-indol-3-yl)ethanone
CID 121192259
1-[7-[(dimethylamino)methyl]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-fluorophenyl)ethanone
CID 131648399
N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 60502687
1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611

Frequently Asked Questions

What is the IUPAC name of 1-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(1H-indol-3-yl)ethanone (CID 154582269) is 1-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(1H-indol-3-yl)ethanone is O=C(Cc1c[nH]c2ccccc12)N1CC2(CC(CCOCc3ccccc3F)CO2)C1.
What is the InChIKey of 1-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is MUUDABXBMODLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3/c26-22-7-3-1-5-19(22)15-30-10-9-18-12-25(31-14-18)16-28(17-25)24(29)11-20-13-27-23-8-4-2-6-21(20)23/h1-8,13,18,27H,9-12,14-17H2.
What are the key properties of 1-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(1H-indol-3-yl)ethanone?
1-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 422.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[2-[(2-fluorophenyl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 154582269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).