4-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]morpholin-3-one

C19H29F3N2O4 — CID 139370296

IUPAC4-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]morpholin-3-one
SMILESCC(CC(F)(F)F)C(=O)N1CCC(O)(CN2CCOCC2=O)C2(CCCC2)C1
InChIInChI=1S/C19H29F3N2O4/c1-14(10-19(20,21)22)16(26)24-7-6-18(27,17(12-24)4-2-3-5-17)13-23-8-9-28-11-15(23)25/h14,27H,2-13H2,1H3
InChIKeyWLNMSUKBWGNAMH-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.96
Rot. Bonds4

About 4-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]morpholin-3-one

4-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]morpholin-3-one (PubChem CID 139370296) has the molecular formula C19H29F3N2O4 and a molecular weight of 406.45 g/mol. Its IUPAC name is 4-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]morpholin-3-one
PubChem CID139370296
Molecular FormulaC19H29F3N2O4
Molecular Weight406.45 g/mol
Exact Mass406.21
IUPAC Name4-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]morpholin-3-one
SMILESCC(CC(F)(F)F)C(=O)N1CCC(O)(CN2CCOCC2=O)C2(CCCC2)C1
InChIInChI=1S/C19H29F3N2O4/c1-14(10-19(20,21)22)16(26)24-7-6-18(27,17(12-24)4-2-3-5-17)13-23-8-9-28-11-15(23)25/h14,27H,2-13H2,1H3
InChIKeyWLNMSUKBWGNAMH-UHFFFAOYSA-N
XLogP1.96
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 10-hydroxy-10-[(3-oxomorpholin-4-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 150646824
4-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]morpholin-3-one
CID 139375405
1-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one
CID 139347106
1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one
CID 139347103
(2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[(2-phenylazetidin-1-yl)methyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one
CID 155754407
2-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-7-methoxyisoquinolin-1-one
CID 139370369
1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139347160
4-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]morpholin-3-one
CID 139370198
1-[[(10R)-10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-5-(4-methylpiperazine-1-carbonyl)-4-phenylpyridin-2-one
CID 139346885
(2R)-4,4,4-trifluoro-1-[10-hydroxy-10-[[5-(trifluoromethoxy)-2-pyridinyl]oxymethyl]-7-azaspiro[4.5]decan-7-yl]-2-methylbutan-1-one
CID 167819278
(4S)-4-(4-chlorophenyl)-1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrrolidin-2-one
CID 164811199
(4S)-1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-4-phenylpyrrolidin-2-one
CID 164811211

Frequently Asked Questions

What is the IUPAC name of 4-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]morpholin-3-one?
The IUPAC name of 4-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]morpholin-3-one (CID 139370296) is 4-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]morpholin-3-one.
What is the SMILES notation for 4-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]morpholin-3-one?
The canonical SMILES for 4-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]morpholin-3-one is CC(CC(F)(F)F)C(=O)N1CCC(O)(CN2CCOCC2=O)C2(CCCC2)C1.
What is the InChIKey of 4-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]morpholin-3-one?
The InChIKey is WLNMSUKBWGNAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3N2O4/c1-14(10-19(20,21)22)16(26)24-7-6-18(27,17(12-24)4-2-3-5-17)13-23-8-9-28-11-15(23)25/h14,27H,2-13H2,1H3.
What are the key properties of 4-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]morpholin-3-one?
4-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]morpholin-3-one has a molecular weight of 406.45 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]morpholin-3-one is sourced from PubChem (CID 139370296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).