N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

C25H30F3N3O2 — CID 146402185

IUPACN-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCC(C)(COc1ncccc1C(F)(F)F)C(=O)NC1CCN(Cc2ccccc2)C2(CC2)C1
InChIInChI=1S/C25H30F3N3O2/c1-23(2,17-33-21-20(25(26,27)28)9-6-13-29-21)22(32)30-19-10-14-31(24(15-19)11-12-24)16-18-7-4-3-5-8-18/h3-9,13,19H,10-12,14-17H2,1-2H3,(H,30,32)
InChIKeyQIRUUUHNLBBETB-UHFFFAOYSA-N
MW461.53 g/mol
LogP4.82
Rot. Bonds7

About N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 146402185) has the molecular formula C25H30F3N3O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
PubChem CID146402185
Molecular FormulaC25H30F3N3O2
Molecular Weight461.53 g/mol
Exact Mass461.23
IUPAC NameN-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCC(C)(COc1ncccc1C(F)(F)F)C(=O)NC1CCN(Cc2ccccc2)C2(CC2)C1
InChIInChI=1S/C25H30F3N3O2/c1-23(2,17-33-21-20(25(26,27)28)9-6-13-29-21)22(32)30-19-10-14-31(24(15-19)11-12-24)16-18-7-4-3-5-8-18/h3-9,13,19H,10-12,14-17H2,1-2H3,(H,30,32)
InChIKeyQIRUUUHNLBBETB-UHFFFAOYSA-N
XLogP4.82
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146402091
2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]-N-(1,3,3-trimethylpiperidin-4-yl)propanamide
CID 146402372
2,2-dimethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146402310
N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146401832
tert-butyl (3S,4S)-4-[[2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanoyl]amino]-3-phenylpiperidine-1-carboxylate;2,2-dimethyl-N-[(3R,4R)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 160522001
2,2-dimethyl-N-[(3R,4S)-1-methyl-3-propan-2-ylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146402182
2,2-dimethyl-N-[(4S)-1-methyl-3-propan-2-ylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146424085
N-(4,4-difluoropyrrolidin-3-yl)-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146402376
2,2-dimethyl-N-[(3S,4R)-4-methylpyrrolidin-3-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;2,2-dimethyl-N-[(3R,4S)-4-methylpyrrolidin-3-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 162010496
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 158839234
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 (3S,4R)-3-[[2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanoyl]amino]-4-methylpyrrolidine-1-carboxylate
CID 146402323

Frequently Asked Questions

What is the IUPAC name of N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The IUPAC name of N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 146402185) is N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is CC(C)(COc1ncccc1C(F)(F)F)C(=O)NC1CCN(Cc2ccccc2)C2(CC2)C1.
What is the InChIKey of N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The InChIKey is QIRUUUHNLBBETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N3O2/c1-23(2,17-33-21-20(25(26,27)28)9-6-13-29-21)22(32)30-19-10-14-31(24(15-19)11-12-24)16-18-7-4-3-5-8-18/h3-9,13,19H,10-12,14-17H2,1-2H3,(H,30,32).
What are the key properties of N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 461.53 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146402185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).