3-[2-(dimethylamino)ethyl]-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C15H24F3N3O3 — CID 70706745

IUPAC3-[2-(dimethylamino)ethyl]-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN(C)CCN1CC2(CCN(C(=O)CCC(F)(F)F)CC2)OC1=O
InChIInChI=1S/C15H24F3N3O3/c1-19(2)9-10-21-11-14(24-13(21)23)5-7-20(8-6-14)12(22)3-4-15(16,17)18/h3-11H2,1-2H3
InChIKeyGRRIWAGVFIIIAF-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.70
Rot. Bonds5

About 3-[2-(dimethylamino)ethyl]-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[2-(dimethylamino)ethyl]-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70706745) has the molecular formula C15H24F3N3O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70706745
Molecular FormulaC15H24F3N3O3
Molecular Weight351.37 g/mol
Exact Mass351.18
IUPAC Name3-[2-(dimethylamino)ethyl]-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN(C)CCN1CC2(CCN(C(=O)CCC(F)(F)F)CC2)OC1=O
InChIInChI=1S/C15H24F3N3O3/c1-19(2)9-10-21-11-14(24-13(21)23)5-7-20(8-6-14)12(22)3-4-15(16,17)18/h3-11H2,1-2H3
InChIKeyGRRIWAGVFIIIAF-UHFFFAOYSA-N
XLogP1.70
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]dec-8-yl)-N,N-dimethylacetamide
CID 70753295
3-{2-[Isobutyl(methyl)amino]ethyl}-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70767297
8-(2-Fluoroethyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 153503803
tert-butyl (5R)-3,3-difluoro-5-(4-methyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 171523831
tert-butyl (5R)-3,3-difluoro-5-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 171523993
tert-butyl (5R)-3,3-difluoro-5-(3-methyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 171524090
3-(1-Methylbutyl)-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729080
3-[(2R)-pentan-2-yl]-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 96376731
3-[(2S)-pentan-2-yl]-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 96376733
8-Butyryl-3-(1-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70708823
3-(2-Ethylbutyl)-8-propionyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70713347
3-{2-[(2-Methoxyethyl)(methyl)amino]ethyl}-8-(2-methylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70748037

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70706745) is 3-[2-(dimethylamino)ethyl]-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN(C)CCN1CC2(CCN(C(=O)CCC(F)(F)F)CC2)OC1=O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is GRRIWAGVFIIIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3O3/c1-19(2)9-10-21-11-14(24-13(21)23)5-7-20(8-6-14)12(22)3-4-15(16,17)18/h3-11H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[2-(dimethylamino)ethyl]-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 351.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-8-(4,4,4-trifluorobutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70706745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).