1-[3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-pyridin-4-ylethanone;2,2,2-trifluoroacetic acid

C20H27F3N2O5 — CID 155835721

IUPAC1-[3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-pyridin-4-ylethanone;2,2,2-trifluoroacetic acid
SMILESCOCCC1COC2(CCCN(C(=O)Cc3ccncc3)C2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H26N2O3.C2HF3O2/c1-22-10-5-16-12-18(23-13-16)6-2-9-20(14-18)17(21)11-15-3-7-19-8-4-15;3-2(4,5)1(6)7/h3-4,7-8,16H,2,5-6,9-14H2,1H3;(H,6,7)
InChIKeyQFALDPMCTUBYFS-UHFFFAOYSA-N
MW432.44 g/mol
LogP2.69
Rot. Bonds5

About 1-[3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-pyridin-4-ylethanone;2,2,2-trifluoroacetic acid

1-[3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-pyridin-4-ylethanone;2,2,2-trifluoroacetic acid (PubChem CID 155835721) has the molecular formula C20H27F3N2O5 and a molecular weight of 432.44 g/mol. Its IUPAC name is 1-[3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-pyridin-4-ylethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-pyridin-4-ylethanone;2,2,2-trifluoroacetic acid
PubChem CID155835721
Molecular FormulaC20H27F3N2O5
Molecular Weight432.44 g/mol
Exact Mass432.19
IUPAC Name1-[3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-pyridin-4-ylethanone;2,2,2-trifluoroacetic acid
SMILESCOCCC1COC2(CCCN(C(=O)Cc3ccncc3)C2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H26N2O3.C2HF3O2/c1-22-10-5-16-12-18(23-13-16)6-2-9-20(14-18)17(21)11-15-3-7-19-8-4-15;3-2(4,5)1(6)7/h3-4,7-8,16H,2,5-6,9-14H2,1H3;(H,6,7)
InChIKeyQFALDPMCTUBYFS-UHFFFAOYSA-N
XLogP2.69
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-pyridin-4-ylethanone;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-methoxy-1-[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155843197
1-[3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-pyridin-3-ylpropan-1-one
CID 134073965
2-ethoxy-1-[(3S,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155846144
3-(2-methoxyethyl)-7-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 155856398
[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-methylimidazol-4-yl)methanone
CID 97395226
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97487075
(4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395183
1-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-2-pyridin-4-ylethanone;2,2,2-trifluoroacetic acid
CID 118744656
1-[3-[(4-methylpiperazin-1-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-pyridin-3-ylpropan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155856122
9-[2-(4-fluorophenyl)acetyl]-N-(pyridin-4-ylmethyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155838652
[(3S,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 97394064
[3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 131645397

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-pyridin-4-ylethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-pyridin-4-ylethanone;2,2,2-trifluoroacetic acid (CID 155835721) is 1-[3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-pyridin-4-ylethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-pyridin-4-ylethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-pyridin-4-ylethanone;2,2,2-trifluoroacetic acid is COCCC1COC2(CCCN(C(=O)Cc3ccncc3)C2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-pyridin-4-ylethanone;2,2,2-trifluoroacetic acid?
The InChIKey is QFALDPMCTUBYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.C2HF3O2/c1-22-10-5-16-12-18(23-13-16)6-2-9-20(14-18)17(21)11-15-3-7-19-8-4-15;3-2(4,5)1(6)7/h3-4,7-8,16H,2,5-6,9-14H2,1H3;(H,6,7).
What are the key properties of 1-[3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-pyridin-4-ylethanone;2,2,2-trifluoroacetic acid?
1-[3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-pyridin-4-ylethanone;2,2,2-trifluoroacetic acid has a molecular weight of 432.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-pyridin-4-ylethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155835721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).