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

C17H23F2N3O2 — CID 146402430

IUPAC3-[(3-cyclopropyl-2-pyridinyl)oxy]-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide
SMILESC[C@H]1CNCC[C@@H]1NC(=O)C(F)(F)COc1ncccc1C1CC1
InChIInChI=1S/C17H23F2N3O2/c1-11-9-20-8-6-14(11)22-16(23)17(18,19)10-24-15-13(12-4-5-12)3-2-7-21-15/h2-3,7,11-12,14,20H,4-6,8-10H2,1H3,(H,22,23)/t11-,14-/m0/s1
InChIKeyTUCJEPGZRYRDEW-FZMZJTMJSA-N
MW339.39 g/mol
LogP2.09
Rot. Bonds6

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

3-[(3-cyclopropyl-2-pyridinyl)oxy]-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide (PubChem CID 146402430) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-2-pyridinyl)oxy]-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-[(3-cyclopropyl-2-pyridinyl)oxy]-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide
PubChem CID146402430
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name3-[(3-cyclopropyl-2-pyridinyl)oxy]-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide
SMILESC[C@H]1CNCC[C@@H]1NC(=O)C(F)(F)COc1ncccc1C1CC1
InChIInChI=1S/C17H23F2N3O2/c1-11-9-20-8-6-14(11)22-16(23)17(18,19)10-24-15-13(12-4-5-12)3-2-7-21-15/h2-3,7,11-12,14,20H,4-6,8-10H2,1H3,(H,22,23)/t11-,14-/m0/s1
InChIKeyTUCJEPGZRYRDEW-FZMZJTMJSA-N
XLogP2.09
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-2-pyridinyl)oxy]-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide?
The IUPAC name of 3-[(3-cyclopropyl-2-pyridinyl)oxy]-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide (CID 146402430) is 3-[(3-cyclopropyl-2-pyridinyl)oxy]-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide.
What is the SMILES notation for 3-[(3-cyclopropyl-2-pyridinyl)oxy]-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide?
The canonical SMILES for 3-[(3-cyclopropyl-2-pyridinyl)oxy]-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide is C[C@H]1CNCC[C@@H]1NC(=O)C(F)(F)COc1ncccc1C1CC1.
What is the InChIKey of 3-[(3-cyclopropyl-2-pyridinyl)oxy]-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide?
The InChIKey is TUCJEPGZRYRDEW-FZMZJTMJSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-11-9-20-8-6-14(11)22-16(23)17(18,19)10-24-15-13(12-4-5-12)3-2-7-21-15/h2-3,7,11-12,14,20H,4-6,8-10H2,1H3,(H,22,23)/t11-,14-/m0/s1.
What are the key properties of 3-[(3-cyclopropyl-2-pyridinyl)oxy]-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide?
3-[(3-cyclopropyl-2-pyridinyl)oxy]-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide has a molecular weight of 339.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-2-pyridinyl)oxy]-2,2-difluoro-N-[(3S,4S)-3-methylpiperidin-4-yl]propanamide is sourced from PubChem (CID 146402430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).