3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2,2-dimethylpropanamide

C17H26FN3O2 — CID 146402039

IUPAC3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2,2-dimethylpropanamide
SMILESCc1cnc(OCC(C)(C)C(=O)N[C@@H]2CCNC[C@H]2F)c(C)c1
InChIInChI=1S/C17H26FN3O2/c1-11-7-12(2)15(20-8-11)23-10-17(3,4)16(22)21-14-5-6-19-9-13(14)18/h7-8,13-14,19H,5-6,9-10H2,1-4H3,(H,21,22)/t13-,14-/m1/s1
InChIKeyMZQGLZHSAPWTKF-ZIAGYGMSSA-N
MW323.41 g/mol
LogP1.92
Rot. Bonds5

About 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2,2-dimethylpropanamide

3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 146402039) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2,2-dimethylpropanamide
PubChem CID146402039
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC Name3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2,2-dimethylpropanamide
SMILESCc1cnc(OCC(C)(C)C(=O)N[C@@H]2CCNC[C@H]2F)c(C)c1
InChIInChI=1S/C17H26FN3O2/c1-11-7-12(2)15(20-8-11)23-10-17(3,4)16(22)21-14-5-6-19-9-13(14)18/h7-8,13-14,19H,5-6,9-10H2,1-4H3,(H,21,22)/t13-,14-/m1/s1
InChIKeyMZQGLZHSAPWTKF-ZIAGYGMSSA-N
XLogP1.92
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2,2-dimethylpropanamide (CID 146402039) is 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2,2-dimethylpropanamide is Cc1cnc(OCC(C)(C)C(=O)N[C@@H]2CCNC[C@H]2F)c(C)c1.
What is the InChIKey of 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is MZQGLZHSAPWTKF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-11-7-12(2)15(20-8-11)23-10-17(3,4)16(22)21-14-5-6-19-9-13(14)18/h7-8,13-14,19H,5-6,9-10H2,1-4H3,(H,21,22)/t13-,14-/m1/s1.
What are the key properties of 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2,2-dimethylpropanamide?
3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 323.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-2-pyridinyl)oxy]-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 146402039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).