(3S,6R)-6-benzyl-2,2-dideuterio-5,8-dimethoxy-6-methyl-4,7-diazaspiro[2.5]octa-4,7-diene

C16H20N2O2 — CID 134845555

IUPAC(3S,6R)-6-benzyl-2,2-dideuterio-5,8-dimethoxy-6-methyl-4,7-diazaspiro[2.5]octa-4,7-diene
SMILES[2H]C1([2H])C[C@]12N=C(OC)[C@@](C)(Cc1ccccc1)N=C2OC
InChIInChI=1S/C16H20N2O2/c1-15(11-12-7-5-4-6-8-12)13(19-2)18-16(9-10-16)14(17-15)20-3/h4-8H,9-11H2,1-3H3/t15-/m1/s1/i9D2/t15-,16-
InChIKeyIHOGHLYOCCURAE-NLPCDQCWSA-N
MW274.36 g/mol
LogP2.62
Rot. Bonds2

About (3S,6R)-6-benzyl-2,2-dideuterio-5,8-dimethoxy-6-methyl-4,7-diazaspiro[2.5]octa-4,7-diene

(3S,6R)-6-benzyl-2,2-dideuterio-5,8-dimethoxy-6-methyl-4,7-diazaspiro[2.5]octa-4,7-diene (PubChem CID 134845555) has the molecular formula C16H20N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (3S,6R)-6-benzyl-2,2-dideuterio-5,8-dimethoxy-6-methyl-4,7-diazaspiro[2.5]octa-4,7-diene.

Molecular Properties

Compound Name(3S,6R)-6-benzyl-2,2-dideuterio-5,8-dimethoxy-6-methyl-4,7-diazaspiro[2.5]octa-4,7-diene
PubChem CID134845555
Molecular FormulaC16H20N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(3S,6R)-6-benzyl-2,2-dideuterio-5,8-dimethoxy-6-methyl-4,7-diazaspiro[2.5]octa-4,7-diene
SMILES[2H]C1([2H])C[C@]12N=C(OC)[C@@](C)(Cc1ccccc1)N=C2OC
InChIInChI=1S/C16H20N2O2/c1-15(11-12-7-5-4-6-8-12)13(19-2)18-16(9-10-16)14(17-15)20-3/h4-8H,9-11H2,1-3H3/t15-/m1/s1/i9D2/t15-,16-
InChIKeyIHOGHLYOCCURAE-NLPCDQCWSA-N
XLogP2.62
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S,6R)-6-benzyl-2,2-dideuterio-5,8-dimethoxy-6-methyl-4,7-diazaspiro[2.5]octa-4,7-diene 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 (3S,6R)-6-benzyl-2,2-dideuterio-5,8-dimethoxy-6-methyl-4,7-diazaspiro[2.5]octa-4,7-diene?
The IUPAC name of (3S,6R)-6-benzyl-2,2-dideuterio-5,8-dimethoxy-6-methyl-4,7-diazaspiro[2.5]octa-4,7-diene (CID 134845555) is (3S,6R)-6-benzyl-2,2-dideuterio-5,8-dimethoxy-6-methyl-4,7-diazaspiro[2.5]octa-4,7-diene.
What is the SMILES notation for (3S,6R)-6-benzyl-2,2-dideuterio-5,8-dimethoxy-6-methyl-4,7-diazaspiro[2.5]octa-4,7-diene?
The canonical SMILES for (3S,6R)-6-benzyl-2,2-dideuterio-5,8-dimethoxy-6-methyl-4,7-diazaspiro[2.5]octa-4,7-diene is [2H]C1([2H])C[C@]12N=C(OC)[C@@](C)(Cc1ccccc1)N=C2OC.
What is the InChIKey of (3S,6R)-6-benzyl-2,2-dideuterio-5,8-dimethoxy-6-methyl-4,7-diazaspiro[2.5]octa-4,7-diene?
The InChIKey is IHOGHLYOCCURAE-NLPCDQCWSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-15(11-12-7-5-4-6-8-12)13(19-2)18-16(9-10-16)14(17-15)20-3/h4-8H,9-11H2,1-3H3/t15-/m1/s1/i9D2/t15-,16-.
What are the key properties of (3S,6R)-6-benzyl-2,2-dideuterio-5,8-dimethoxy-6-methyl-4,7-diazaspiro[2.5]octa-4,7-diene?
(3S,6R)-6-benzyl-2,2-dideuterio-5,8-dimethoxy-6-methyl-4,7-diazaspiro[2.5]octa-4,7-diene has a molecular weight of 274.36 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-benzyl-2,2-dideuterio-5,8-dimethoxy-6-methyl-4,7-diazaspiro[2.5]octa-4,7-diene is sourced from PubChem (CID 134845555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).