4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylic acid

C15H18N2O4 — CID 141044413

IUPAC4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylic acid
SMILESCC1OC(=O)N(C2CCN(C(=O)O)CC2)c2ccccc21
InChIInChI=1S/C15H18N2O4/c1-10-12-4-2-3-5-13(12)17(15(20)21-10)11-6-8-16(9-7-11)14(18)19/h2-5,10-11H,6-9H2,1H3,(H,18,19)
InChIKeyFYQXSQADMLRFGD-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.85
Rot. Bonds1

About 4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylic acid

4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylic acid (PubChem CID 141044413) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylic acid
PubChem CID141044413
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylic acid
SMILESCC1OC(=O)N(C2CCN(C(=O)O)CC2)c2ccccc21
InChIInChI=1S/C15H18N2O4/c1-10-12-4-2-3-5-13(12)17(15(20)21-10)11-6-8-16(9-7-11)14(18)19/h2-5,10-11H,6-9H2,1H3,(H,18,19)
InChIKeyFYQXSQADMLRFGD-UHFFFAOYSA-N
XLogP2.85
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylic acid 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 4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylic acid (CID 141044413) is 4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylic acid is CC1OC(=O)N(C2CCN(C(=O)O)CC2)c2ccccc21.
What is the InChIKey of 4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylic acid?
The InChIKey is FYQXSQADMLRFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10-12-4-2-3-5-13(12)17(15(20)21-10)11-6-8-16(9-7-11)14(18)19/h2-5,10-11H,6-9H2,1H3,(H,18,19).
What are the key properties of 4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylic acid?
4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 141044413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).