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

C15H18F5N3O2 — CID 146401979

IUPAC2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESC[C@H]1CNCC[C@@H]1NC(=O)C(F)(F)COc1ncccc1C(F)(F)F
InChIInChI=1S/C15H18F5N3O2/c1-9-7-21-6-4-11(9)23-13(24)14(16,17)8-25-12-10(15(18,19)20)3-2-5-22-12/h2-3,5,9,11,21H,4,6-8H2,1H3,(H,23,24)/t9-,11-/m0/s1
InChIKeyCQFZOXANZNSBFU-ONGXEEELSA-N
MW367.32 g/mol
LogP2.23
Rot. Bonds5

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

2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 146401979) has the molecular formula C15H18F5N3O2 and a molecular weight of 367.32 g/mol. Its IUPAC name is 2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
PubChem CID146401979
Molecular FormulaC15H18F5N3O2
Molecular Weight367.32 g/mol
Exact Mass367.13
IUPAC Name2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESC[C@H]1CNCC[C@@H]1NC(=O)C(F)(F)COc1ncccc1C(F)(F)F
InChIInChI=1S/C15H18F5N3O2/c1-9-7-21-6-4-11(9)23-13(24)14(16,17)8-25-12-10(15(18,19)20)3-2-5-22-12/h2-3,5,9,11,21H,4,6-8H2,1H3,(H,23,24)/t9-,11-/m0/s1
InChIKeyCQFZOXANZNSBFU-ONGXEEELSA-N
XLogP2.23
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The IUPAC name of 2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 146401979) is 2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is C[C@H]1CNCC[C@@H]1NC(=O)C(F)(F)COc1ncccc1C(F)(F)F.
What is the InChIKey of 2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The InChIKey is CQFZOXANZNSBFU-ONGXEEELSA-N. The full InChI is InChI=1S/C15H18F5N3O2/c1-9-7-21-6-4-11(9)23-13(24)14(16,17)8-25-12-10(15(18,19)20)3-2-5-22-12/h2-3,5,9,11,21H,4,6-8H2,1H3,(H,23,24)/t9-,11-/m0/s1.
What are the key properties of 2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 367.32 g/mol, XLogP of 2.23, 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-methylpiperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146401979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).