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

C14H15F6N3O2 — CID 146401962

IUPAC2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESO=C(N[C@H]1CCNC[C@@H]1F)C(F)(F)COc1ncccc1C(F)(F)F
InChIInChI=1S/C14H15F6N3O2/c15-9-6-21-5-3-10(9)23-12(24)13(16,17)7-25-11-8(14(18,19)20)2-1-4-22-11/h1-2,4,9-10,21H,3,5-7H2,(H,23,24)/t9-,10-/m0/s1
InChIKeyLIMHSUZFUSDTNJ-UWVGGRQHSA-N
MW371.28 g/mol
LogP1.93
Rot. Bonds5

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

2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 146401962) has the molecular formula C14H15F6N3O2 and a molecular weight of 371.28 g/mol. Its IUPAC name is 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
PubChem CID146401962
Molecular FormulaC14H15F6N3O2
Molecular Weight371.28 g/mol
Exact Mass371.11
IUPAC Name2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESO=C(N[C@H]1CCNC[C@@H]1F)C(F)(F)COc1ncccc1C(F)(F)F
InChIInChI=1S/C14H15F6N3O2/c15-9-6-21-5-3-10(9)23-12(24)13(16,17)7-25-11-8(14(18,19)20)2-1-4-22-11/h1-2,4,9-10,21H,3,5-7H2,(H,23,24)/t9-,10-/m0/s1
InChIKeyLIMHSUZFUSDTNJ-UWVGGRQHSA-N
XLogP1.93
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The IUPAC name of 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 146401962) is 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is O=C(N[C@H]1CCNC[C@@H]1F)C(F)(F)COc1ncccc1C(F)(F)F.
What is the InChIKey of 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The InChIKey is LIMHSUZFUSDTNJ-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H15F6N3O2/c15-9-6-21-5-3-10(9)23-12(24)13(16,17)7-25-11-8(14(18,19)20)2-1-4-22-11/h1-2,4,9-10,21H,3,5-7H2,(H,23,24)/t9-,10-/m0/s1.
What are the key properties of 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 371.28 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146401962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).