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

C13H14N2O2 — CID 11241695

IUPAC4-piperidin-1-yl-1,3-benzoxazin-2-one
SMILESO=c1nc(N2CCCCC2)c2ccccc2o1
InChIInChI=1S/C13H14N2O2/c16-13-14-12(15-8-4-1-5-9-15)10-6-2-3-7-11(10)17-13/h2-3,6-7H,1,4-5,8-9H2
InChIKeyTWTXAVLIGMDCSB-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.18
Rot. Bonds1

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

4-piperidin-1-yl-1,3-benzoxazin-2-one (PubChem CID 11241695) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-piperidin-1-yl-1,3-benzoxazin-2-one.

Molecular Properties

Compound Name4-piperidin-1-yl-1,3-benzoxazin-2-one
PubChem CID11241695
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-piperidin-1-yl-1,3-benzoxazin-2-one
SMILESO=c1nc(N2CCCCC2)c2ccccc2o1
InChIInChI=1S/C13H14N2O2/c16-13-14-12(15-8-4-1-5-9-15)10-6-2-3-7-11(10)17-13/h2-3,6-7H,1,4-5,8-9H2
InChIKeyTWTXAVLIGMDCSB-UHFFFAOYSA-N
XLogP2.18
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1,3-benzoxazin-2-one?
The IUPAC name of 4-piperidin-1-yl-1,3-benzoxazin-2-one (CID 11241695) is 4-piperidin-1-yl-1,3-benzoxazin-2-one.
What is the SMILES notation for 4-piperidin-1-yl-1,3-benzoxazin-2-one?
The canonical SMILES for 4-piperidin-1-yl-1,3-benzoxazin-2-one is O=c1nc(N2CCCCC2)c2ccccc2o1.
What is the InChIKey of 4-piperidin-1-yl-1,3-benzoxazin-2-one?
The InChIKey is TWTXAVLIGMDCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-13-14-12(15-8-4-1-5-9-15)10-6-2-3-7-11(10)17-13/h2-3,6-7H,1,4-5,8-9H2.
What are the key properties of 4-piperidin-1-yl-1,3-benzoxazin-2-one?
4-piperidin-1-yl-1,3-benzoxazin-2-one has a molecular weight of 230.27 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1,3-benzoxazin-2-one is sourced from PubChem (CID 11241695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).