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

C14H15F6N3O3 — CID 146401973

IUPAC2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESO=C(N[C@H]1CCNC[C@@H]1F)C(F)(F)COc1ncccc1OC(F)(F)F
InChIInChI=1S/C14H15F6N3O3/c15-8-6-21-5-3-9(8)23-12(24)13(16,17)7-25-11-10(2-1-4-22-11)26-14(18,19)20/h1-2,4,8-9,21H,3,5-7H2,(H,23,24)/t8-,9-/m0/s1
InChIKeyVGMATMOYFFGPAE-IUCAKERBSA-N
MW387.28 g/mol
LogP1.81
Rot. Bonds6

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

2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (PubChem CID 146401973) has the molecular formula C14H15F6N3O3 and a molecular weight of 387.28 g/mol. Its IUPAC name is 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
PubChem CID146401973
Molecular FormulaC14H15F6N3O3
Molecular Weight387.28 g/mol
Exact Mass387.10
IUPAC Name2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESO=C(N[C@H]1CCNC[C@@H]1F)C(F)(F)COc1ncccc1OC(F)(F)F
InChIInChI=1S/C14H15F6N3O3/c15-8-6-21-5-3-9(8)23-12(24)13(16,17)7-25-11-10(2-1-4-22-11)26-14(18,19)20/h1-2,4,8-9,21H,3,5-7H2,(H,23,24)/t8-,9-/m0/s1
InChIKeyVGMATMOYFFGPAE-IUCAKERBSA-N
XLogP1.81
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 51.81
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-fluoropiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The IUPAC name of 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (CID 146401973) is 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is O=C(N[C@H]1CCNC[C@@H]1F)C(F)(F)COc1ncccc1OC(F)(F)F.
What is the InChIKey of 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The InChIKey is VGMATMOYFFGPAE-IUCAKERBSA-N. The full InChI is InChI=1S/C14H15F6N3O3/c15-8-6-21-5-3-9(8)23-12(24)13(16,17)7-25-11-10(2-1-4-22-11)26-14(18,19)20/h1-2,4,8-9,21H,3,5-7H2,(H,23,24)/t8-,9-/m0/s1.
What are the key properties of 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide has a molecular weight of 387.28 g/mol, XLogP of 1.81, 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-fluoropiperidin-4-yl]-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146401973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).