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

C13H14N2O2 — CID 589620

IUPAC2-piperidin-1-yl-3,1-benzoxazin-4-one
SMILESO=c1oc(N2CCCCC2)nc2ccccc12
InChIInChI=1S/C13H14N2O2/c16-12-10-6-2-3-7-11(10)14-13(17-12)15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-9H2
InChIKeySWRDBJRQOWWFLS-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.18
Rot. Bonds1

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

2-piperidin-1-yl-3,1-benzoxazin-4-one (PubChem CID 589620) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-piperidin-1-yl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-piperidin-1-yl-3,1-benzoxazin-4-one
PubChem CID589620
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-piperidin-1-yl-3,1-benzoxazin-4-one
SMILESO=c1oc(N2CCCCC2)nc2ccccc12
InChIInChI=1S/C13H14N2O2/c16-12-10-6-2-3-7-11(10)14-13(17-12)15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-9H2
InChIKeySWRDBJRQOWWFLS-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

Analyze 2-piperidin-1-yl-3,1-benzoxazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-3,1-benzoxazin-4-one?
The IUPAC name of 2-piperidin-1-yl-3,1-benzoxazin-4-one (CID 589620) is 2-piperidin-1-yl-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-piperidin-1-yl-3,1-benzoxazin-4-one?
The canonical SMILES for 2-piperidin-1-yl-3,1-benzoxazin-4-one is O=c1oc(N2CCCCC2)nc2ccccc12.
What is the InChIKey of 2-piperidin-1-yl-3,1-benzoxazin-4-one?
The InChIKey is SWRDBJRQOWWFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-12-10-6-2-3-7-11(10)14-13(17-12)15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-9H2.
What are the key properties of 2-piperidin-1-yl-3,1-benzoxazin-4-one?
2-piperidin-1-yl-3,1-benzoxazin-4-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 2-piperidin-1-yl-3,1-benzoxazin-4-one is sourced from PubChem (CID 589620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).