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

C36H52F6N6O6 — CID 158384467

IUPACN-[(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
SMILESC[C@@H]1CN(C)CC[C@@H]1NC(=O)C(C)(C)COc1ncccc1OC(F)(F)F.C[C@H]1CN(C)CC[C@H]1NC(=O)C(C)(C)COc1ncccc1OC(F)(F)F
InChIInChI=1S/2C18H26F3N3O3/c2*1-12-10-24(4)9-7-13(12)23-16(25)17(2,3)11-26-15-14(6-5-8-22-15)27-18(19,20)21/h2*5-6,8,12-13H,7,9-11H2,1-4H3,(H,23,25)/t2*12-,13+/m10/s1
InChIKeyGWEWDJZXQHUQNR-LIPFMWGZSA-N
MW778.84 g/mol
LogP5.68
Rot. Bonds12

About 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

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 (PubChem CID 158384467) has the molecular formula C36H52F6N6O6 and a molecular weight of 778.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID158384467
Molecular FormulaC36H52F6N6O6
Molecular Weight778.84 g/mol
Exact Mass778.39
IUPAC NameN-[(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
SMILESC[C@@H]1CN(C)CC[C@@H]1NC(=O)C(C)(C)COc1ncccc1OC(F)(F)F.C[C@H]1CN(C)CC[C@H]1NC(=O)C(C)(C)COc1ncccc1OC(F)(F)F
InChIInChI=1S/2C18H26F3N3O3/c2*1-12-10-24(4)9-7-13(12)23-16(25)17(2,3)11-26-15-14(6-5-8-22-15)27-18(19,20)21/h2*5-6,8,12-13H,7,9-11H2,1-4H3,(H,23,25)/t2*12-,13+/m10/s1
InChIKeyGWEWDJZXQHUQNR-LIPFMWGZSA-N
XLogP5.68
TPSA127.38 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.84
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 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-[(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
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-[(3R,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 146402203
N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146401832
2,2-dimethyl-N-(5-methyl-5-azaspiro[2.5]octan-8-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 146401964
tert-butyl (3R,4S)-4-[[2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanoyl]amino]-3-phenylpiperidine-1-carboxylate
CID 146401909
tert-butyl (2S,4R)-4-[[2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanoyl]amino]-2-methylpiperidine-1-carboxylate
CID 146402244
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
2,2-dimethyl-N-[(3S,4S)-1-methyl-3-phenylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146402091

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1CN(C)CC[C@@H]1NC(=O)C(C)(C)COc1ncccc1OC(F)(F)F.C[C@H]1CN(C)CC[C@H]1NC(=O)C(C)(C)COc1ncccc1OC(F)(F)F.
What is the InChIKey of 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?
The InChIKey is GWEWDJZXQHUQNR-LIPFMWGZSA-N. The full InChI is InChI=1S/2C18H26F3N3O3/c2*1-12-10-24(4)9-7-13(12)23-16(25)17(2,3)11-26-15-14(6-5-8-22-15)27-18(19,20)21/h2*5-6,8,12-13H,7,9-11H2,1-4H3,(H,23,25)/t2*12-,13+/m10/s1.
What are the key properties of 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?
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 has a molecular weight of 778.84 g/mol, XLogP of 5.68, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158384467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).