3-(2-methoxyethyl)-7-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid

C16H22F3N3O4 — CID 155856398

IUPAC3-(2-methoxyethyl)-7-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
SMILESCOCCC1COC2(CCN(c3cnccn3)C2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H21N3O2.C2HF3O2/c1-18-7-2-12-8-14(19-10-12)3-6-17(11-14)13-9-15-4-5-16-13;3-2(4,5)1(6)7/h4-5,9,12H,2-3,6-8,10-11H2,1H3;(H,6,7)
InChIKeyFDXYDLGGIQLGGF-UHFFFAOYSA-N
MW377.36 g/mol
LogP2.13
Rot. Bonds4

About 3-(2-methoxyethyl)-7-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid

3-(2-methoxyethyl)-7-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid (PubChem CID 155856398) has the molecular formula C16H22F3N3O4 and a molecular weight of 377.36 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-7-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(2-methoxyethyl)-7-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
PubChem CID155856398
Molecular FormulaC16H22F3N3O4
Molecular Weight377.36 g/mol
Exact Mass377.16
IUPAC Name3-(2-methoxyethyl)-7-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
SMILESCOCCC1COC2(CCN(c3cnccn3)C2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H21N3O2.C2HF3O2/c1-18-7-2-12-8-14(19-10-12)3-6-17(11-14)13-9-15-4-5-16-13;3-2(4,5)1(6)7/h4-5,9,12H,2-3,6-8,10-11H2,1H3;(H,6,7)
InChIKeyFDXYDLGGIQLGGF-UHFFFAOYSA-N
XLogP2.13
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyethyl)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decane
CID 134078912
3-(2-methoxyethyl)-9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 134071247
4-[3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]benzonitrile;2,2,2-trifluoroacetic acid
CID 155856590
1-[3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-pyridin-4-ylethanone;2,2,2-trifluoroacetic acid
CID 155835721
[3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 131645397
[(3S,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 97394064
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97487075
(3R,5R)-7-pyrazin-2-yl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97394379
(3S,5S)-7-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(pyridin-3-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155826260
(3R,5S)-7-pyrazin-2-yl-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97394443
4-[(5-methylthiophen-2-yl)methyl]-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 171672882
N-methyl-2-[[(3R)-8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97487338

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-7-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(2-methoxyethyl)-7-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid (CID 155856398) is 3-(2-methoxyethyl)-7-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(2-methoxyethyl)-7-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(2-methoxyethyl)-7-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid is COCCC1COC2(CCN(c3cnccn3)C2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(2-methoxyethyl)-7-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid?
The InChIKey is FDXYDLGGIQLGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.C2HF3O2/c1-18-7-2-12-8-14(19-10-12)3-6-17(11-14)13-9-15-4-5-16-13;3-2(4,5)1(6)7/h4-5,9,12H,2-3,6-8,10-11H2,1H3;(H,6,7).
What are the key properties of 3-(2-methoxyethyl)-7-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid?
3-(2-methoxyethyl)-7-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid has a molecular weight of 377.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-7-pyrazin-2-yl-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155856398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).