4-methyl-9-[3-(trifluoromethyl)pyrazin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane

C14H19F3N4O — CID 166342246

IUPAC4-methyl-9-[3-(trifluoromethyl)pyrazin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCN1CCOC2(CCN(c3nccnc3C(F)(F)F)CC2)C1
InChIInChI=1S/C14H19F3N4O/c1-20-8-9-22-13(10-20)2-6-21(7-3-13)12-11(14(15,16)17)18-4-5-19-12/h4-5H,2-3,6-10H2,1H3
InChIKeySKYQJMPXGLGUMV-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.80
Rot. Bonds1

About 4-methyl-9-[3-(trifluoromethyl)pyrazin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane

4-methyl-9-[3-(trifluoromethyl)pyrazin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 166342246) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is 4-methyl-9-[3-(trifluoromethyl)pyrazin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-methyl-9-[3-(trifluoromethyl)pyrazin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID166342246
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name4-methyl-9-[3-(trifluoromethyl)pyrazin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCN1CCOC2(CCN(c3nccnc3C(F)(F)F)CC2)C1
InChIInChI=1S/C14H19F3N4O/c1-20-8-9-22-13(10-20)2-6-21(7-3-13)12-11(14(15,16)17)18-4-5-19-12/h4-5H,2-3,6-10H2,1H3
InChIKeySKYQJMPXGLGUMV-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-Ethoxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 132386989
4-(3,6-Dimethylpyrazin-2-yl)-2,2-diethylmorpholine
CID 132409347
2-[4-(1-Propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine
CID 58747946
2-[4-(1-Cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine
CID 58747986
2-{4-[(1-Cyclobutyl-4-piperidinyl)oxy]-1-piperidinyl}-5-(trifluoromethyl)pyrazine hydrochloride
CID 69353961
2-[4-(1-Propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]-5-(trifluoromethyl)pyrazine;hydrochloride
CID 69355686
(5R)-3-[5-(trifluoromethyl)pyrazin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]
CID 150566876
2-[2-(Ethoxymethyl)-6-methylpiperazin-1-yl]-5-(trifluoromethyl)pyrazine
CID 170259322
N-[[(2S,3R,6R)-2,6-dimethylmorpholin-3-yl]methyl]-6-(trifluoromethyl)pyrazin-2-amine
CID 176205673
N-[[(2S,3R,6R)-2,6-dimethylmorpholin-3-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 176205702
N-[[(2S,3R,6S)-2,6-dimethylmorpholin-3-yl]methyl]-6-(trifluoromethyl)pyrazin-2-amine
CID 176205737
N-[[(2S,3R,6R)-2,6-dimethylmorpholin-3-yl]methyl]-3-methyl-5-(trifluoromethyl)pyrazin-2-amine
CID 176205766

Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-[3-(trifluoromethyl)pyrazin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-methyl-9-[3-(trifluoromethyl)pyrazin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane (CID 166342246) is 4-methyl-9-[3-(trifluoromethyl)pyrazin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-methyl-9-[3-(trifluoromethyl)pyrazin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-methyl-9-[3-(trifluoromethyl)pyrazin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane is CN1CCOC2(CCN(c3nccnc3C(F)(F)F)CC2)C1.
What is the InChIKey of 4-methyl-9-[3-(trifluoromethyl)pyrazin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is SKYQJMPXGLGUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O/c1-20-8-9-22-13(10-20)2-6-21(7-3-13)12-11(14(15,16)17)18-4-5-19-12/h4-5H,2-3,6-10H2,1H3.
What are the key properties of 4-methyl-9-[3-(trifluoromethyl)pyrazin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane?
4-methyl-9-[3-(trifluoromethyl)pyrazin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 316.33 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-[3-(trifluoromethyl)pyrazin-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 166342246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).