1-(3,3-difluoroazetidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one

C12H20F2N2O — CID 66580841

IUPAC1-(3,3-difluoroazetidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one
SMILESC[C@@H]1CCCN(CCC(=O)N2CC(F)(F)C2)C1
InChIInChI=1S/C12H20F2N2O/c1-10-3-2-5-15(7-10)6-4-11(17)16-8-12(13,14)9-16/h10H,2-9H2,1H3/t10-/m1/s1
InChIKeyJHPWDZPGKYBDFS-SNVBAGLBSA-N
MW246.30 g/mol
LogP1.59
Rot. Bonds3

About 1-(3,3-difluoroazetidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one

1-(3,3-difluoroazetidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one (PubChem CID 66580841) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is 1-(3,3-difluoroazetidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(3,3-difluoroazetidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one
PubChem CID66580841
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name1-(3,3-difluoroazetidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one
SMILESC[C@@H]1CCCN(CCC(=O)N2CC(F)(F)C2)C1
InChIInChI=1S/C12H20F2N2O/c1-10-3-2-5-15(7-10)6-4-11(17)16-8-12(13,14)9-16/h10H,2-9H2,1H3/t10-/m1/s1
InChIKeyJHPWDZPGKYBDFS-SNVBAGLBSA-N
XLogP1.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
The IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one (CID 66580841) is 1-(3,3-difluoroazetidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(3,3-difluoroazetidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(3,3-difluoroazetidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one is C[C@@H]1CCCN(CCC(=O)N2CC(F)(F)C2)C1.
What is the InChIKey of 1-(3,3-difluoroazetidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
The InChIKey is JHPWDZPGKYBDFS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20F2N2O/c1-10-3-2-5-15(7-10)6-4-11(17)16-8-12(13,14)9-16/h10H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of 1-(3,3-difluoroazetidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
1-(3,3-difluoroazetidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one has a molecular weight of 246.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoroazetidin-1-yl)-3-[(3R)-3-methylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 66580841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).