2-amino-1'-benzyl-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,4'-piperidine]-3-carbonitrile

C23H27N3O2 — CID 655559

IUPAC2-amino-1'-benzyl-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,4'-piperidine]-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H27N3O2/c1-22(2)12-18(27)20-19(13-22)28-21(25)17(14-24)23(20)8-10-26(11-9-23)15-16-6-4-3-5-7-16/h3-7H,8-13,15,25H2,1-2H3
InChIKeyFOQXXUFWUPZUPE-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.64
Rot. Bonds2

About 2-amino-1'-benzyl-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,4'-piperidine]-3-carbonitrile

2-amino-1'-benzyl-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,4'-piperidine]-3-carbonitrile (PubChem CID 655559) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-amino-1'-benzyl-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,4'-piperidine]-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1'-benzyl-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,4'-piperidine]-3-carbonitrile
PubChem CID655559
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-amino-1'-benzyl-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,4'-piperidine]-3-carbonitrile
SMILESCC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H27N3O2/c1-22(2)12-18(27)20-19(13-22)28-21(25)17(14-24)23(20)8-10-26(11-9-23)15-16-6-4-3-5-7-16/h3-7H,8-13,15,25H2,1-2H3
InChIKeyFOQXXUFWUPZUPE-UHFFFAOYSA-N
XLogP3.64
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-1'-benzyl-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,4'-piperidine]-3-carbonitrile 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 2-amino-1'-benzyl-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,4'-piperidine]-3-carbonitrile?
The IUPAC name of 2-amino-1'-benzyl-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,4'-piperidine]-3-carbonitrile (CID 655559) is 2-amino-1'-benzyl-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,4'-piperidine]-3-carbonitrile.
What is the SMILES notation for 2-amino-1'-benzyl-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,4'-piperidine]-3-carbonitrile?
The canonical SMILES for 2-amino-1'-benzyl-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,4'-piperidine]-3-carbonitrile is CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-amino-1'-benzyl-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,4'-piperidine]-3-carbonitrile?
The InChIKey is FOQXXUFWUPZUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-22(2)12-18(27)20-19(13-22)28-21(25)17(14-24)23(20)8-10-26(11-9-23)15-16-6-4-3-5-7-16/h3-7H,8-13,15,25H2,1-2H3.
What are the key properties of 2-amino-1'-benzyl-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,4'-piperidine]-3-carbonitrile?
2-amino-1'-benzyl-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,4'-piperidine]-3-carbonitrile has a molecular weight of 377.49 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1'-benzyl-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,4'-piperidine]-3-carbonitrile is sourced from PubChem (CID 655559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).