tert-butyl (2S,4R)-4-[[2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanoyl]amino]-2-methylpiperidine-1-carboxylate

C22H32F3N3O5 — CID 146402244

IUPACtert-butyl (2S,4R)-4-[[2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanoyl]amino]-2-methylpiperidine-1-carboxylate
SMILESC[C@H]1C[C@H](NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C22H32F3N3O5/c1-14-12-15(9-11-28(14)19(30)33-20(2,3)4)27-18(29)21(5,6)13-31-17-16(8-7-10-26-17)32-22(23,24)25/h7-8,10,14-15H,9,11-13H2,1-6H3,(H,27,29)/t14-,15+/m0/s1
InChIKeyQWDZXTDJTVULSP-LSDHHAIUSA-N
MW475.51 g/mol
LogP4.29
Rot. Bonds6

About tert-butyl (2S,4R)-4-[[2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanoyl]amino]-2-methylpiperidine-1-carboxylate

tert-butyl (2S,4R)-4-[[2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanoyl]amino]-2-methylpiperidine-1-carboxylate (PubChem CID 146402244) has the molecular formula C22H32F3N3O5 and a molecular weight of 475.51 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-[[2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanoyl]amino]-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-[[2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanoyl]amino]-2-methylpiperidine-1-carboxylate
PubChem CID146402244
Molecular FormulaC22H32F3N3O5
Molecular Weight475.51 g/mol
Exact Mass475.23
IUPAC Nametert-butyl (2S,4R)-4-[[2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanoyl]amino]-2-methylpiperidine-1-carboxylate
SMILESC[C@H]1C[C@H](NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C22H32F3N3O5/c1-14-12-15(9-11-28(14)19(30)33-20(2,3)4)27-18(29)21(5,6)13-31-17-16(8-7-10-26-17)32-22(23,24)25/h7-8,10,14-15H,9,11-13H2,1-6H3,(H,27,29)/t14-,15+/m0/s1
InChIKeyQWDZXTDJTVULSP-LSDHHAIUSA-N
XLogP4.29
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2S,4R)-4-[[2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanoyl]amino]-2-methylpiperidine-1-carboxylate with MolForge

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Launch Full Analysis

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
tert-butyl (3R,4S)-4-[[2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanoyl]amino]-3-phenylpiperidine-1-carboxylate
CID 146401909
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
3-[(3-cyclopropyl-2-pyridinyl)oxy]-N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-dimethylpropanamide
CID 146401986
2,2-dimethyl-N-(5-methyl-5-azaspiro[2.5]octan-8-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 146401964
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
2,2-dimethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146402310
tert-butyl (3S,4R)-3-[[2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanoyl]amino]-4-methylpyrrolidine-1-carboxylate
CID 146402323
tert-butyl 2-methyl-4-[(1-methylimidazol-2-yl)methylamino]piperidine-1-carboxylate
CID 107095292

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-4-[[2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanoyl]amino]-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-[[2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanoyl]amino]-2-methylpiperidine-1-carboxylate (CID 146402244) is tert-butyl (2S,4R)-4-[[2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanoyl]amino]-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-[[2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanoyl]amino]-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-[[2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanoyl]amino]-2-methylpiperidine-1-carboxylate is C[C@H]1C[C@H](NC(=O)C(C)(C)COc2ncccc2OC(F)(F)F)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,4R)-4-[[2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanoyl]amino]-2-methylpiperidine-1-carboxylate?
The InChIKey is QWDZXTDJTVULSP-LSDHHAIUSA-N. The full InChI is InChI=1S/C22H32F3N3O5/c1-14-12-15(9-11-28(14)19(30)33-20(2,3)4)27-18(29)21(5,6)13-31-17-16(8-7-10-26-17)32-22(23,24)25/h7-8,10,14-15H,9,11-13H2,1-6H3,(H,27,29)/t14-,15+/m0/s1.
What are the key properties of tert-butyl (2S,4R)-4-[[2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanoyl]amino]-2-methylpiperidine-1-carboxylate?
tert-butyl (2S,4R)-4-[[2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanoyl]amino]-2-methylpiperidine-1-carboxylate has a molecular weight of 475.51 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-[[2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanoyl]amino]-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 146402244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).