N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide

C16H20F5N3O3 — CID 146401969

IUPACN-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESC[C@@H]1C[C@H](NC(=O)C(F)(F)COc2ncccc2OC(F)(F)F)CCN1C
InChIInChI=1S/C16H20F5N3O3/c1-10-8-11(5-7-24(10)2)23-14(25)15(17,18)9-26-13-12(4-3-6-22-13)27-16(19,20)21/h3-4,6,10-11H,5,7-9H2,1-2H3,(H,23,25)/t10-,11-/m1/s1
InChIKeyUREGLMCJLRSJKY-GHMZBOCLSA-N
MW397.34 g/mol
LogP2.59
Rot. Bonds6

About N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide

N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (PubChem CID 146401969) has the molecular formula C16H20F5N3O3 and a molecular weight of 397.34 g/mol. Its IUPAC name is N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
PubChem CID146401969
Molecular FormulaC16H20F5N3O3
Molecular Weight397.34 g/mol
Exact Mass397.14
IUPAC NameN-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESC[C@@H]1C[C@H](NC(=O)C(F)(F)COc2ncccc2OC(F)(F)F)CCN1C
InChIInChI=1S/C16H20F5N3O3/c1-10-8-11(5-7-24(10)2)23-14(25)15(17,18)9-26-13-12(4-3-6-22-13)27-16(19,20)21/h3-4,6,10-11H,5,7-9H2,1-2H3,(H,23,25)/t10-,11-/m1/s1
InChIKeyUREGLMCJLRSJKY-GHMZBOCLSA-N
XLogP2.59
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The IUPAC name of N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (CID 146401969) is N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is C[C@@H]1C[C@H](NC(=O)C(F)(F)COc2ncccc2OC(F)(F)F)CCN1C.
What is the InChIKey of N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The InChIKey is UREGLMCJLRSJKY-GHMZBOCLSA-N. The full InChI is InChI=1S/C16H20F5N3O3/c1-10-8-11(5-7-24(10)2)23-14(25)15(17,18)9-26-13-12(4-3-6-22-13)27-16(19,20)21/h3-4,6,10-11H,5,7-9H2,1-2H3,(H,23,25)/t10-,11-/m1/s1.
What are the key properties of N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide has a molecular weight of 397.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146401969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).