1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one

C16H20N2O3 — CID 53016592

IUPAC1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
SMILESCC(C)C(=O)N1CCC2(CC1)NC(=O)c1ccccc1O2
InChIInChI=1S/C16H20N2O3/c1-11(2)15(20)18-9-7-16(8-10-18)17-14(19)12-5-3-4-6-13(12)21-16/h3-6,11H,7-10H2,1-2H3,(H,17,19)
InChIKeyFUFMVNXGGXNNGS-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.78
Rot. Bonds1

About 1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one

1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one (PubChem CID 53016592) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
PubChem CID53016592
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
SMILESCC(C)C(=O)N1CCC2(CC1)NC(=O)c1ccccc1O2
InChIInChI=1S/C16H20N2O3/c1-11(2)15(20)18-9-7-16(8-10-18)17-14(19)12-5-3-4-6-13(12)21-16/h3-6,11H,7-10H2,1-2H3,(H,17,19)
InChIKeyFUFMVNXGGXNNGS-UHFFFAOYSA-N
XLogP1.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-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 1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one (CID 53016592) is 1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one is CC(C)C(=O)N1CCC2(CC1)NC(=O)c1ccccc1O2.
What is the InChIKey of 1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
The InChIKey is FUFMVNXGGXNNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(2)15(20)18-9-7-16(8-10-18)17-14(19)12-5-3-4-6-13(12)21-16/h3-6,11H,7-10H2,1-2H3,(H,17,19).
What are the key properties of 1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?
1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one has a molecular weight of 288.35 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one is sourced from PubChem (CID 53016592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).