2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide

C15H18F5N3O3 — CID 146401852

IUPAC2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESC[C@H]1CNCC[C@@H]1NC(=O)C(F)(F)COc1ncccc1OC(F)(F)F
InChIInChI=1S/C15H18F5N3O3/c1-9-7-21-6-4-10(9)23-13(24)14(16,17)8-25-12-11(3-2-5-22-12)26-15(18,19)20/h2-3,5,9-10,21H,4,6-8H2,1H3,(H,23,24)/t9-,10-/m0/s1
InChIKeyCKHPPGOBWAXROW-UWVGGRQHSA-N
MW383.32 g/mol
LogP2.11
Rot. Bonds6

About 2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide

2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (PubChem CID 146401852) has the molecular formula C15H18F5N3O3 and a molecular weight of 383.32 g/mol. Its IUPAC name is 2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
PubChem CID146401852
Molecular FormulaC15H18F5N3O3
Molecular Weight383.32 g/mol
Exact Mass383.13
IUPAC Name2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESC[C@H]1CNCC[C@@H]1NC(=O)C(F)(F)COc1ncccc1OC(F)(F)F
InChIInChI=1S/C15H18F5N3O3/c1-9-7-21-6-4-10(9)23-13(24)14(16,17)8-25-12-11(3-2-5-22-12)26-15(18,19)20/h2-3,5,9-10,21H,4,6-8H2,1H3,(H,23,24)/t9-,10-/m0/s1
InChIKeyCKHPPGOBWAXROW-UWVGGRQHSA-N
XLogP2.11
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The IUPAC name of 2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (CID 146401852) is 2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is C[C@H]1CNCC[C@@H]1NC(=O)C(F)(F)COc1ncccc1OC(F)(F)F.
What is the InChIKey of 2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The InChIKey is CKHPPGOBWAXROW-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H18F5N3O3/c1-9-7-21-6-4-10(9)23-13(24)14(16,17)8-25-12-11(3-2-5-22-12)26-15(18,19)20/h2-3,5,9-10,21H,4,6-8H2,1H3,(H,23,24)/t9-,10-/m0/s1.
What are the key properties of 2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide has a molecular weight of 383.32 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146401852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).