3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one

C13H20F2N2O3 — CID 3827392

IUPAC3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCC1(C)COC(=O)N(C2CCN(C(=O)C(F)F)CC2)C1
InChIInChI=1S/C13H20F2N2O3/c1-13(2)7-17(12(19)20-8-13)9-3-5-16(6-4-9)11(18)10(14)15/h9-10H,3-8H2,1-2H3
InChIKeyYZKSDCBWRJFCRX-UHFFFAOYSA-N
MW290.31 g/mol
LogP1.72
Rot. Bonds2

About 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one

3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one (PubChem CID 3827392) has the molecular formula C13H20F2N2O3 and a molecular weight of 290.31 g/mol. Its IUPAC name is 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one
PubChem CID3827392
Molecular FormulaC13H20F2N2O3
Molecular Weight290.31 g/mol
Exact Mass290.14
IUPAC Name3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCC1(C)COC(=O)N(C2CCN(C(=O)C(F)F)CC2)C1
InChIInChI=1S/C13H20F2N2O3/c1-13(2)7-17(12(19)20-8-13)9-3-5-16(6-4-9)11(18)10(14)15/h9-10H,3-8H2,1-2H3
InChIKeyYZKSDCBWRJFCRX-UHFFFAOYSA-N
XLogP1.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one?
The IUPAC name of 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one (CID 3827392) is 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one?
The canonical SMILES for 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one is CC1(C)COC(=O)N(C2CCN(C(=O)C(F)F)CC2)C1.
What is the InChIKey of 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one?
The InChIKey is YZKSDCBWRJFCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O3/c1-13(2)7-17(12(19)20-8-13)9-3-5-16(6-4-9)11(18)10(14)15/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one?
3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one has a molecular weight of 290.31 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 3827392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).