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

C13H16N2O2 — CID 10704740

IUPAC1-piperidin-4-yl-4H-3,1-benzoxazin-2-one
SMILESO=C1OCc2ccccc2N1C1CCNCC1
InChIInChI=1S/C13H16N2O2/c16-13-15(11-5-7-14-8-6-11)12-4-2-1-3-10(12)9-17-13/h1-4,11,14H,5-9H2
InChIKeyQKTKCZPATIBTBT-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.90
Rot. Bonds1

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

1-piperidin-4-yl-4H-3,1-benzoxazin-2-one (PubChem CID 10704740) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-piperidin-4-yl-4H-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name1-piperidin-4-yl-4H-3,1-benzoxazin-2-one
PubChem CID10704740
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-piperidin-4-yl-4H-3,1-benzoxazin-2-one
SMILESO=C1OCc2ccccc2N1C1CCNCC1
InChIInChI=1S/C13H16N2O2/c16-13-15(11-5-7-14-8-6-11)12-4-2-1-3-10(12)9-17-13/h1-4,11,14H,5-9H2
InChIKeyQKTKCZPATIBTBT-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-4H-3,1-benzoxazin-2-one?
The IUPAC name of 1-piperidin-4-yl-4H-3,1-benzoxazin-2-one (CID 10704740) is 1-piperidin-4-yl-4H-3,1-benzoxazin-2-one.
What is the SMILES notation for 1-piperidin-4-yl-4H-3,1-benzoxazin-2-one?
The canonical SMILES for 1-piperidin-4-yl-4H-3,1-benzoxazin-2-one is O=C1OCc2ccccc2N1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-4H-3,1-benzoxazin-2-one?
The InChIKey is QKTKCZPATIBTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-13-15(11-5-7-14-8-6-11)12-4-2-1-3-10(12)9-17-13/h1-4,11,14H,5-9H2.
What are the key properties of 1-piperidin-4-yl-4H-3,1-benzoxazin-2-one?
1-piperidin-4-yl-4H-3,1-benzoxazin-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-4H-3,1-benzoxazin-2-one is sourced from PubChem (CID 10704740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).