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

C14H15F2N3O2 — CID 137462796

IUPAC5-[3-fluoro-4-(4-fluoropiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NN=C(c2ccc(N3CCC(F)CC3)c(F)c2)CO1
InChIInChI=1S/C14H15F2N3O2/c15-10-3-5-19(6-4-10)13-2-1-9(7-11(13)16)12-8-21-14(20)18-17-12/h1-2,7,10H,3-6,8H2,(H,18,20)
InChIKeyCIGVECSETGHGOE-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.21
Rot. Bonds2

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

5-[3-fluoro-4-(4-fluoropiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 137462796) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is 5-[3-fluoro-4-(4-fluoropiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name5-[3-fluoro-4-(4-fluoropiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID137462796
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name5-[3-fluoro-4-(4-fluoropiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NN=C(c2ccc(N3CCC(F)CC3)c(F)c2)CO1
InChIInChI=1S/C14H15F2N3O2/c15-10-3-5-19(6-4-10)13-2-1-9(7-11(13)16)12-8-21-14(20)18-17-12/h1-2,7,10H,3-6,8H2,(H,18,20)
InChIKeyCIGVECSETGHGOE-UHFFFAOYSA-N
XLogP2.21
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-(4-fluoropiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of 5-[3-fluoro-4-(4-fluoropiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 137462796) is 5-[3-fluoro-4-(4-fluoropiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 5-[3-fluoro-4-(4-fluoropiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for 5-[3-fluoro-4-(4-fluoropiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is O=C1NN=C(c2ccc(N3CCC(F)CC3)c(F)c2)CO1.
What is the InChIKey of 5-[3-fluoro-4-(4-fluoropiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is CIGVECSETGHGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c15-10-3-5-19(6-4-10)13-2-1-9(7-11(13)16)12-8-21-14(20)18-17-12/h1-2,7,10H,3-6,8H2,(H,18,20).
What are the key properties of 5-[3-fluoro-4-(4-fluoropiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
5-[3-fluoro-4-(4-fluoropiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 295.29 g/mol, XLogP of 2.21, 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-fluoropiperidin-1-yl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 137462796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).