2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one

C16H20N2O3 — CID 3224947

IUPAC2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
SMILESCC1Oc2ccccc2N(CC(=O)N2CCCCC2)C1=O
InChIInChI=1S/C16H20N2O3/c1-12-16(20)18(13-7-3-4-8-14(13)21-12)11-15(19)17-9-5-2-6-10-17/h3-4,7-8,12H,2,5-6,9-11H2,1H3
InChIKeyDOTACJWMIJDNFL-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.81
Rot. Bonds2

About 2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one

2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one (PubChem CID 3224947) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
PubChem CID3224947
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
SMILESCC1Oc2ccccc2N(CC(=O)N2CCCCC2)C1=O
InChIInChI=1S/C16H20N2O3/c1-12-16(20)18(13-7-3-4-8-14(13)21-12)11-15(19)17-9-5-2-6-10-17/h3-4,7-8,12H,2,5-6,9-11H2,1H3
InChIKeyDOTACJWMIJDNFL-UHFFFAOYSA-N
XLogP1.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-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-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one (CID 3224947) is 2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one is CC1Oc2ccccc2N(CC(=O)N2CCCCC2)C1=O.
What is the InChIKey of 2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one?
The InChIKey is DOTACJWMIJDNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12-16(20)18(13-7-3-4-8-14(13)21-12)11-15(19)17-9-5-2-6-10-17/h3-4,7-8,12H,2,5-6,9-11H2,1H3.
What are the key properties of 2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one?
2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one has a molecular weight of 288.35 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 3224947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).