2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one

C18H24F3N5O2 — CID 175641274

IUPAC2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1N(CCN2CCOCC2)CCC12CCN(c1nccc(C(F)(F)F)n1)C2
InChIInChI=1S/C18H24F3N5O2/c19-18(20,21)14-1-4-22-16(23-14)26-6-3-17(13-26)2-5-25(15(17)27)8-7-24-9-11-28-12-10-24/h1,4H,2-3,5-13H2
InChIKeyZLFBWWABGJOWBW-UHFFFAOYSA-N
MW399.42 g/mol
LogP1.26
Rot. Bonds4

About 2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one

2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175641274) has the molecular formula C18H24F3N5O2 and a molecular weight of 399.42 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175641274
Molecular FormulaC18H24F3N5O2
Molecular Weight399.42 g/mol
Exact Mass399.19
IUPAC Name2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1N(CCN2CCOCC2)CCC12CCN(c1nccc(C(F)(F)F)n1)C2
InChIInChI=1S/C18H24F3N5O2/c19-18(20,21)14-1-4-22-16(23-14)26-6-3-17(13-26)2-5-25(15(17)27)8-7-24-9-11-28-12-10-24/h1,4H,2-3,5-13H2
InChIKeyZLFBWWABGJOWBW-UHFFFAOYSA-N
XLogP1.26
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US11142526, Example 74
CID 137533025
2-[1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-2-azaspiro[4.4]nonane-1,3-dione
CID 2796300
[5-(Trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 2810209
7-Isopropyl-2-[4-(trifluoromethyl)pyrimidin-2-YL]-2,7-diazaspiro[4.5]decan-6-one
CID 72871782
morpholin-4-yl-[1-[(2S)-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carbonyl]piperidin-4-yl]methanone
CID 46103352
(5S)-2-(oxan-4-yl)-9-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[4.5]decan-1-one
CID 57970835
(5R)-2-(oxan-4-yl)-9-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[4.5]decan-1-one
CID 58653420
N-[(3R)-1-methylpyrrolidin-3-yl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 59568959
1-[1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]pyrrolidine-3-carboxamide
CID 69180380
[3-(Aminomethyl)pyrrolidin-1-yl]-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 69180381
1-[2-Hydroxy-3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one
CID 71058110
Tert-butyl 3-oxo-2-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 168208357

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one (CID 175641274) is 2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one is O=C1N(CCN2CCOCC2)CCC12CCN(c1nccc(C(F)(F)F)n1)C2.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is ZLFBWWABGJOWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5O2/c19-18(20,21)14-1-4-22-16(23-14)26-6-3-17(13-26)2-5-25(15(17)27)8-7-24-9-11-28-12-10-24/h1,4H,2-3,5-13H2.
What are the key properties of 2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one?
2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 399.42 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175641274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).