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

C14H18F3N3O2 — CID 146402187

IUPAC2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[(3-methyl-2-pyridinyl)oxy]propanamide
SMILESCc1cccnc1OCC(F)(F)C(=O)N[C@H]1CCNC[C@@H]1F
InChIInChI=1S/C14H18F3N3O2/c1-9-3-2-5-19-12(9)22-8-14(16,17)13(21)20-11-4-6-18-7-10(11)15/h2-3,5,10-11,18H,4,6-8H2,1H3,(H,20,21)/t10-,11-/m0/s1
InChIKeyPRQSUYBHGNFVLP-QWRGUYRKSA-N
MW317.31 g/mol
LogP1.22
Rot. Bonds5

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

2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[(3-methyl-2-pyridinyl)oxy]propanamide (PubChem CID 146402187) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[(3-methyl-2-pyridinyl)oxy]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[(3-methyl-2-pyridinyl)oxy]propanamide
PubChem CID146402187
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC Name2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[(3-methyl-2-pyridinyl)oxy]propanamide
SMILESCc1cccnc1OCC(F)(F)C(=O)N[C@H]1CCNC[C@@H]1F
InChIInChI=1S/C14H18F3N3O2/c1-9-3-2-5-19-12(9)22-8-14(16,17)13(21)20-11-4-6-18-7-10(11)15/h2-3,5,10-11,18H,4,6-8H2,1H3,(H,20,21)/t10-,11-/m0/s1
InChIKeyPRQSUYBHGNFVLP-QWRGUYRKSA-N
XLogP1.22
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.22
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-fluoropiperidin-4-yl]-3-[(3-methyl-2-pyridinyl)oxy]propanamide?
The IUPAC name of 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[(3-methyl-2-pyridinyl)oxy]propanamide (CID 146402187) is 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[(3-methyl-2-pyridinyl)oxy]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[(3-methyl-2-pyridinyl)oxy]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[(3-methyl-2-pyridinyl)oxy]propanamide is Cc1cccnc1OCC(F)(F)C(=O)N[C@H]1CCNC[C@@H]1F.
What is the InChIKey of 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[(3-methyl-2-pyridinyl)oxy]propanamide?
The InChIKey is PRQSUYBHGNFVLP-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-9-3-2-5-19-12(9)22-8-14(16,17)13(21)20-11-4-6-18-7-10(11)15/h2-3,5,10-11,18H,4,6-8H2,1H3,(H,20,21)/t10-,11-/m0/s1.
What are the key properties of 2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[(3-methyl-2-pyridinyl)oxy]propanamide?
2,2-difluoro-N-[(3S,4S)-3-fluoropiperidin-4-yl]-3-[(3-methyl-2-pyridinyl)oxy]propanamide has a molecular weight of 317.31 g/mol, XLogP of 1.22, 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-methyl-2-pyridinyl)oxy]propanamide is sourced from PubChem (CID 146402187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).