2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(1H-indol-3-yl)ethanone

C20H26N2O3 — CID 111457131

IUPAC2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(1H-indol-3-yl)ethanone
SMILESCCOC1CC(O)C12CCN(CC(=O)c1c[nH]c3ccccc13)CC2
InChIInChI=1S/C20H26N2O3/c1-2-25-19-11-18(24)20(19)7-9-22(10-8-20)13-17(23)15-12-21-16-6-4-3-5-14(15)16/h3-6,12,18-19,21,24H,2,7-11,13H2,1H3
InChIKeyRWDGSWJRWJUELY-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.60
Rot. Bonds5

About 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(1H-indol-3-yl)ethanone

2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(1H-indol-3-yl)ethanone (PubChem CID 111457131) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(1H-indol-3-yl)ethanone
PubChem CID111457131
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(1H-indol-3-yl)ethanone
SMILESCCOC1CC(O)C12CCN(CC(=O)c1c[nH]c3ccccc13)CC2
InChIInChI=1S/C20H26N2O3/c1-2-25-19-11-18(24)20(19)7-9-22(10-8-20)13-17(23)15-12-21-16-6-4-3-5-14(15)16/h3-6,12,18-19,21,24H,2,7-11,13H2,1H3
InChIKeyRWDGSWJRWJUELY-UHFFFAOYSA-N
XLogP2.60
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(1H-indol-3-yl)ethanone with MolForge

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Related Compounds

1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indazol-3-yl)methanone
CID 97216094
1-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31872453
7-benzyl-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 111457282
1-benzofuran-3-yl-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 97216153
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 913234
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 115648322
2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 63608717
4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64695940
N-(3-ethoxycyclobutyl)-1H-indole-3-carboxamide
CID 102673960
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 36880743
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(N-ethylanilino)ethanone
CID 111456853

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(1H-indol-3-yl)ethanone (CID 111457131) is 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(1H-indol-3-yl)ethanone is CCOC1CC(O)C12CCN(CC(=O)c1c[nH]c3ccccc13)CC2.
What is the InChIKey of 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(1H-indol-3-yl)ethanone?
The InChIKey is RWDGSWJRWJUELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-2-25-19-11-18(24)20(19)7-9-22(10-8-20)13-17(23)15-12-21-16-6-4-3-5-14(15)16/h3-6,12,18-19,21,24H,2,7-11,13H2,1H3.
What are the key properties of 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(1H-indol-3-yl)ethanone?
2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(1H-indol-3-yl)ethanone has a molecular weight of 342.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 111457131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).