1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione

C24H25N3O2 — CID 654492

IUPAC1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
SMILESCC12CN3CC(C)(CN(C1)C31C(=O)N(Cc3ccccc3)c3ccccc31)C2=O
InChIInChI=1S/C24H25N3O2/c1-22-13-25-15-23(2,20(22)28)16-26(14-22)24(25)18-10-6-7-11-19(18)27(21(24)29)12-17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3
InChIKeyDWJDGOVIFATAQU-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.61
Rot. Bonds2

About 1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione

1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione (PubChem CID 654492) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione.

Molecular Properties

Compound Name1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
PubChem CID654492
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
SMILESCC12CN3CC(C)(CN(C1)C31C(=O)N(Cc3ccccc3)c3ccccc31)C2=O
InChIInChI=1S/C24H25N3O2/c1-22-13-25-15-23(2,20(22)28)16-26(14-22)24(25)18-10-6-7-11-19(18)27(21(24)29)12-17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3
InChIKeyDWJDGOVIFATAQU-UHFFFAOYSA-N
XLogP2.61
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione 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-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
The IUPAC name of 1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione (CID 654492) is 1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione.
What is the SMILES notation for 1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
The canonical SMILES for 1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione is CC12CN3CC(C)(CN(C1)C31C(=O)N(Cc3ccccc3)c3ccccc31)C2=O.
What is the InChIKey of 1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
The InChIKey is DWJDGOVIFATAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-22-13-25-15-23(2,20(22)28)16-26(14-22)24(25)18-10-6-7-11-19(18)27(21(24)29)12-17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3.
What are the key properties of 1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione has a molecular weight of 387.48 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione is sourced from PubChem (CID 654492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).