1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one

C12H15N3O2 — CID 58117477

IUPAC1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
SMILESCN1CCC2(CC1)OC(=O)Nc1ncccc12
InChIInChI=1S/C12H15N3O2/c1-15-7-4-12(5-8-15)9-3-2-6-13-10(9)14-11(16)17-12/h2-3,6H,4-5,7-8H2,1H3,(H,13,14,16)
InChIKeyPJJOGONIAPZHCT-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.56
Rot. Bonds

About 1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one

1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one (PubChem CID 58117477) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
PubChem CID58117477
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
SMILESCN1CCC2(CC1)OC(=O)Nc1ncccc12
InChIInChI=1S/C12H15N3O2/c1-15-7-4-12(5-8-15)9-3-2-6-13-10(9)14-11(16)17-12/h2-3,6H,4-5,7-8H2,1H3,(H,13,14,16)
InChIKeyPJJOGONIAPZHCT-UHFFFAOYSA-N
XLogP1.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-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'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
The IUPAC name of 1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one (CID 58117477) is 1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one.
What is the SMILES notation for 1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
The canonical SMILES for 1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one is CN1CCC2(CC1)OC(=O)Nc1ncccc12.
What is the InChIKey of 1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
The InChIKey is PJJOGONIAPZHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15-7-4-12(5-8-15)9-3-2-6-13-10(9)14-11(16)17-12/h2-3,6H,4-5,7-8H2,1H3,(H,13,14,16).
What are the key properties of 1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one is sourced from PubChem (CID 58117477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).