5-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one

C15H17F2N3O2 — CID 137462811

IUPAC5-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESCC1(F)CCN(c2ccc(C3=NNC(=O)OC3)cc2F)CC1
InChIInChI=1S/C15H17F2N3O2/c1-15(17)4-6-20(7-5-15)13-3-2-10(8-11(13)16)12-9-22-14(21)19-18-12/h2-3,8H,4-7,9H2,1H3,(H,19,21)
InChIKeyQFISQTCTFMEIEA-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.60
Rot. Bonds2

About 5-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one

5-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 137462811) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is 5-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name5-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID137462811
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name5-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESCC1(F)CCN(c2ccc(C3=NNC(=O)OC3)cc2F)CC1
InChIInChI=1S/C15H17F2N3O2/c1-15(17)4-6-20(7-5-15)13-3-2-10(8-11(13)16)12-9-22-14(21)19-18-12/h2-3,8H,4-7,9H2,1H3,(H,19,21)
InChIKeyQFISQTCTFMEIEA-UHFFFAOYSA-N
XLogP2.60
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one with MolForge

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Related Compounds

US11427553, Example 210
CID 137462649
US11427553, Example 221
CID 137462650
US11427553, Example 65
CID 137462660
US11427553, Example 248
CID 137462672
US11427553, Example 223
CID 137462689
US11427553, Example 4
CID 137462706
US11427553, Example 242
CID 137462712
US11427553, Example 21
CID 137462715
US11427553, Example 239
CID 137462727
US11427553, Example 258
CID 137462728
US11427553, Example 253
CID 137462741
US11427553, Example 280
CID 137462746

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of 5-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 137462811) is 5-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 5-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for 5-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is CC1(F)CCN(c2ccc(C3=NNC(=O)OC3)cc2F)CC1.
What is the InChIKey of 5-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is QFISQTCTFMEIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-15(17)4-6-20(7-5-15)13-3-2-10(8-11(13)16)12-9-22-14(21)19-18-12/h2-3,8H,4-7,9H2,1H3,(H,19,21).
What are the key properties of 5-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
5-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 309.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-4-(4-fluoro-4-methylpiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 137462811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).