1-benzyl-3',4'-dimethylidenespiro[piperidine-4,1'-pyrrolo[2,1-c][1,4]oxazine]

C20H22N2O — CID 123306316

IUPAC1-benzyl-3',4'-dimethylidenespiro[piperidine-4,1'-pyrrolo[2,1-c][1,4]oxazine]
SMILESC=C1OC2(CCN(Cc3ccccc3)CC2)c2cccn2C1=C
InChIInChI=1S/C20H22N2O/c1-16-17(2)23-20(19-9-6-12-22(16)19)10-13-21(14-11-20)15-18-7-4-3-5-8-18/h3-9,12H,1-2,10-11,13-15H2
InChIKeyYSURHVWCEAXSPU-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.99
Rot. Bonds2

About 1-benzyl-3',4'-dimethylidenespiro[piperidine-4,1'-pyrrolo[2,1-c][1,4]oxazine]

1-benzyl-3',4'-dimethylidenespiro[piperidine-4,1'-pyrrolo[2,1-c][1,4]oxazine] (PubChem CID 123306316) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-benzyl-3',4'-dimethylidenespiro[piperidine-4,1'-pyrrolo[2,1-c][1,4]oxazine].

Molecular Properties

Compound Name1-benzyl-3',4'-dimethylidenespiro[piperidine-4,1'-pyrrolo[2,1-c][1,4]oxazine]
PubChem CID123306316
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name1-benzyl-3',4'-dimethylidenespiro[piperidine-4,1'-pyrrolo[2,1-c][1,4]oxazine]
SMILESC=C1OC2(CCN(Cc3ccccc3)CC2)c2cccn2C1=C
InChIInChI=1S/C20H22N2O/c1-16-17(2)23-20(19-9-6-12-22(16)19)10-13-21(14-11-20)15-18-7-4-3-5-8-18/h3-9,12H,1-2,10-11,13-15H2
InChIKeyYSURHVWCEAXSPU-UHFFFAOYSA-N
XLogP3.99
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3',4'-dimethylidenespiro[piperidine-4,1'-pyrrolo[2,1-c][1,4]oxazine] 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-benzyl-3',4'-dimethylidenespiro[piperidine-4,1'-pyrrolo[2,1-c][1,4]oxazine]?
The IUPAC name of 1-benzyl-3',4'-dimethylidenespiro[piperidine-4,1'-pyrrolo[2,1-c][1,4]oxazine] (CID 123306316) is 1-benzyl-3',4'-dimethylidenespiro[piperidine-4,1'-pyrrolo[2,1-c][1,4]oxazine].
What is the SMILES notation for 1-benzyl-3',4'-dimethylidenespiro[piperidine-4,1'-pyrrolo[2,1-c][1,4]oxazine]?
The canonical SMILES for 1-benzyl-3',4'-dimethylidenespiro[piperidine-4,1'-pyrrolo[2,1-c][1,4]oxazine] is C=C1OC2(CCN(Cc3ccccc3)CC2)c2cccn2C1=C.
What is the InChIKey of 1-benzyl-3',4'-dimethylidenespiro[piperidine-4,1'-pyrrolo[2,1-c][1,4]oxazine]?
The InChIKey is YSURHVWCEAXSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-16-17(2)23-20(19-9-6-12-22(16)19)10-13-21(14-11-20)15-18-7-4-3-5-8-18/h3-9,12H,1-2,10-11,13-15H2.
What are the key properties of 1-benzyl-3',4'-dimethylidenespiro[piperidine-4,1'-pyrrolo[2,1-c][1,4]oxazine]?
1-benzyl-3',4'-dimethylidenespiro[piperidine-4,1'-pyrrolo[2,1-c][1,4]oxazine] has a molecular weight of 306.41 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3',4'-dimethylidenespiro[piperidine-4,1'-pyrrolo[2,1-c][1,4]oxazine] is sourced from PubChem (CID 123306316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).