10-(2-methoxyethyl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

C19H27F3N4O2 — CID 70709882

IUPAC10-(2-methoxyethyl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCOCCN1CCC2(CCC1=O)CN(c1cccc(C(F)(F)F)n1)CCN2C
InChIInChI=1S/C19H27F3N4O2/c1-24-10-11-26(16-5-3-4-15(23-16)19(20,21)22)14-18(24)7-6-17(27)25(9-8-18)12-13-28-2/h3-5H,6-14H2,1-2H3
InChIKeyOYBQVGHPZOGJGB-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.25
Rot. Bonds4

About 10-(2-methoxyethyl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

10-(2-methoxyethyl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 70709882) has the molecular formula C19H27F3N4O2 and a molecular weight of 400.45 g/mol. Its IUPAC name is 10-(2-methoxyethyl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name10-(2-methoxyethyl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID70709882
Molecular FormulaC19H27F3N4O2
Molecular Weight400.45 g/mol
Exact Mass400.21
IUPAC Name10-(2-methoxyethyl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCOCCN1CCC2(CCC1=O)CN(c1cccc(C(F)(F)F)n1)CCN2C
InChIInChI=1S/C19H27F3N4O2/c1-24-10-11-26(16-5-3-4-15(23-16)19(20,21)22)14-18(24)7-6-17(27)25(9-8-18)12-13-28-2/h3-5H,6-14H2,1-2H3
InChIKeyOYBQVGHPZOGJGB-UHFFFAOYSA-N
XLogP2.25
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97117399
(6R)-4-[4-(dimethylamino)pyrimidin-2-yl]-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 98840183
4-(5-ethyl-2-methylpyrimidin-4-yl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70716153
(6S)-10-(2-hydroxyethyl)-1-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97131703
4-(4-fluorobutyl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 70777697
10-(2-methoxyethyl)-1-methyl-4-[(1-methylimidazol-2-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72852906
(6R)-4-(furan-2-carbonyl)-10-(2-methoxyethyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97150981
(6S)-10-(2-methoxyethyl)-1-methyl-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97130711
3-[[(6S)-10-(2-methoxyethyl)-1-methyl-9-oxo-1,4,10-triazaspiro[5.6]dodecan-4-yl]methyl]benzonitrile
CID 97204100
(6R)-10-(2-methoxyethyl)-1-methyl-4-(1H-pyrrole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97112786
10-(2-methoxyethyl)-1-methyl-4-(1,2-oxazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72918843
(6S)-10-(2-methoxyethyl)-1-methyl-4-(1,2-oxazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97146365

Frequently Asked Questions

What is the IUPAC name of 10-(2-methoxyethyl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of 10-(2-methoxyethyl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 70709882) is 10-(2-methoxyethyl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 10-(2-methoxyethyl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 10-(2-methoxyethyl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is COCCN1CCC2(CCC1=O)CN(c1cccc(C(F)(F)F)n1)CCN2C.
What is the InChIKey of 10-(2-methoxyethyl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is OYBQVGHPZOGJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O2/c1-24-10-11-26(16-5-3-4-15(23-16)19(20,21)22)14-18(24)7-6-17(27)25(9-8-18)12-13-28-2/h3-5H,6-14H2,1-2H3.
What are the key properties of 10-(2-methoxyethyl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
10-(2-methoxyethyl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 400.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methoxyethyl)-1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 70709882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).