2,2-dimethyl-N-(5-methyl-5-azaspiro[2.5]octan-8-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide

C19H26F3N3O3 — CID 146401964

IUPAC2,2-dimethyl-N-(5-methyl-5-azaspiro[2.5]octan-8-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESCN1CCC(NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)C2(CC2)C1
InChIInChI=1S/C19H26F3N3O3/c1-17(2,12-27-15-13(5-4-9-23-15)28-19(20,21)22)16(26)24-14-6-10-25(3)11-18(14)7-8-18/h4-5,9,14H,6-8,10-12H2,1-3H3,(H,24,26)
InChIKeyLAGZWBYENUDHAI-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.99
Rot. Bonds6

About 2,2-dimethyl-N-(5-methyl-5-azaspiro[2.5]octan-8-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide

2,2-dimethyl-N-(5-methyl-5-azaspiro[2.5]octan-8-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (PubChem CID 146401964) has the molecular formula C19H26F3N3O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-(5-methyl-5-azaspiro[2.5]octan-8-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(5-methyl-5-azaspiro[2.5]octan-8-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
PubChem CID146401964
Molecular FormulaC19H26F3N3O3
Molecular Weight401.43 g/mol
Exact Mass401.19
IUPAC Name2,2-dimethyl-N-(5-methyl-5-azaspiro[2.5]octan-8-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESCN1CCC(NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)C2(CC2)C1
InChIInChI=1S/C19H26F3N3O3/c1-17(2,12-27-15-13(5-4-9-23-15)28-19(20,21)22)16(26)24-14-6-10-25(3)11-18(14)7-8-18/h4-5,9,14H,6-8,10-12H2,1-3H3,(H,24,26)
InChIKeyLAGZWBYENUDHAI-UHFFFAOYSA-N
XLogP2.99
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-N-(5-methyl-5-azaspiro[2.5]octan-8-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide with MolForge

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Related Compounds

N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide;N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 158384468
N-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide;N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 158384467
N-[(3R,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 146402203
2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(1,3,3-trimethylpiperidin-4-yl)propanamide
CID 146402372
N-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide;N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 159572753
N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 146402133
N-(1,3-dimethylpiperidin-4-yl)-2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 146402139
tert-butyl (2S,4R)-4-[[2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanoyl]amino]-2-methylpiperidine-1-carboxylate
CID 146402244
tert-butyl 7-[[2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanoyl]amino]-5-azaspiro[2.4]heptane-5-carboxylate
CID 146401922
tert-butyl (3R,4S)-4-[[2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanoyl]amino]-3-phenylpiperidine-1-carboxylate
CID 146401909
N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146401832
N-[(3R,4R)-3-[1-(difluoromethyl)pyrazol-4-yl]piperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 146402290

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(5-methyl-5-azaspiro[2.5]octan-8-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The IUPAC name of 2,2-dimethyl-N-(5-methyl-5-azaspiro[2.5]octan-8-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (CID 146401964) is 2,2-dimethyl-N-(5-methyl-5-azaspiro[2.5]octan-8-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(5-methyl-5-azaspiro[2.5]octan-8-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for 2,2-dimethyl-N-(5-methyl-5-azaspiro[2.5]octan-8-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is CN1CCC(NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)C2(CC2)C1.
What is the InChIKey of 2,2-dimethyl-N-(5-methyl-5-azaspiro[2.5]octan-8-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The InChIKey is LAGZWBYENUDHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O3/c1-17(2,12-27-15-13(5-4-9-23-15)28-19(20,21)22)16(26)24-14-6-10-25(3)11-18(14)7-8-18/h4-5,9,14H,6-8,10-12H2,1-3H3,(H,24,26).
What are the key properties of 2,2-dimethyl-N-(5-methyl-5-azaspiro[2.5]octan-8-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
2,2-dimethyl-N-(5-methyl-5-azaspiro[2.5]octan-8-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide has a molecular weight of 401.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(5-methyl-5-azaspiro[2.5]octan-8-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146401964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).