5-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one

C13H15FN2O2 — CID 22063056

IUPAC5-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one
SMILESO=C1OCc2c(F)cccc2N1C1CCNCC1
InChIInChI=1S/C13H15FN2O2/c14-11-2-1-3-12-10(11)8-18-13(17)16(12)9-4-6-15-7-5-9/h1-3,9,15H,4-8H2
InChIKeyPZTNMEJANQUFIA-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.03
Rot. Bonds1

About 5-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one

5-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one (PubChem CID 22063056) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 5-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name5-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one
PubChem CID22063056
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name5-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one
SMILESO=C1OCc2c(F)cccc2N1C1CCNCC1
InChIInChI=1S/C13H15FN2O2/c14-11-2-1-3-12-10(11)8-18-13(17)16(12)9-4-6-15-7-5-9/h1-3,9,15H,4-8H2
InChIKeyPZTNMEJANQUFIA-UHFFFAOYSA-N
XLogP2.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one?
The IUPAC name of 5-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one (CID 22063056) is 5-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one.
What is the SMILES notation for 5-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one?
The canonical SMILES for 5-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one is O=C1OCc2c(F)cccc2N1C1CCNCC1.
What is the InChIKey of 5-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one?
The InChIKey is PZTNMEJANQUFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-11-2-1-3-12-10(11)8-18-13(17)16(12)9-4-6-15-7-5-9/h1-3,9,15H,4-8H2.
What are the key properties of 5-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one?
5-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one has a molecular weight of 250.27 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-piperidin-4-yl-4H-3,1-benzoxazin-2-one is sourced from PubChem (CID 22063056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).