tert-butyl 7-oxospiro[2,9-dihydrofuro[3,4-f][1,4]benzodioxine-3,4'-piperidine]-1'-carboxylate;ethane

C21H29NO6 — CID 170729282

IUPACtert-butyl 7-oxospiro[2,9-dihydrofuro[3,4-f][1,4]benzodioxine-3,4'-piperidine]-1'-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCC2(CC1)COc1c(ccc3c1COC3=O)O2
InChIInChI=1S/C19H23NO6.C2H6/c1-18(2,3)26-17(22)20-8-6-19(7-9-20)11-24-15-13-10-23-16(21)12(13)4-5-14(15)25-19;1-2/h4-5H,6-11H2,1-3H3;1-2H3
InChIKeyWCADFFWEGBTCDJ-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.92
Rot. Bonds

About tert-butyl 7-oxospiro[2,9-dihydrofuro[3,4-f][1,4]benzodioxine-3,4'-piperidine]-1'-carboxylate;ethane

tert-butyl 7-oxospiro[2,9-dihydrofuro[3,4-f][1,4]benzodioxine-3,4'-piperidine]-1'-carboxylate;ethane (PubChem CID 170729282) has the molecular formula C21H29NO6 and a molecular weight of 391.46 g/mol. Its IUPAC name is tert-butyl 7-oxospiro[2,9-dihydrofuro[3,4-f][1,4]benzodioxine-3,4'-piperidine]-1'-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 7-oxospiro[2,9-dihydrofuro[3,4-f][1,4]benzodioxine-3,4'-piperidine]-1'-carboxylate;ethane
PubChem CID170729282
Molecular FormulaC21H29NO6
Molecular Weight391.46 g/mol
Exact Mass391.20
IUPAC Nametert-butyl 7-oxospiro[2,9-dihydrofuro[3,4-f][1,4]benzodioxine-3,4'-piperidine]-1'-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCC2(CC1)COc1c(ccc3c1COC3=O)O2
InChIInChI=1S/C19H23NO6.C2H6/c1-18(2,3)26-17(22)20-8-6-19(7-9-20)11-24-15-13-10-23-16(21)12(13)4-5-14(15)25-19;1-2/h4-5H,6-11H2,1-3H3;1-2H3
InChIKeyWCADFFWEGBTCDJ-UHFFFAOYSA-N
XLogP3.92
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 7-oxospiro[2,9-dihydrofuro[3,4-f][1,4]benzodioxine-3,4'-piperidine]-1'-carboxylate;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 130449380
tert-butyl 7-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;ethane
CID 143029871
tert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate
CID 121418613
tert-butyl 4-oxo-6-(2-sulfanylpropan-2-yl)spiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 146175359
tert-butyl 4-[2-(4-fluoro-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperazine-1-carboxylate
CID 67517999
tert-butyl 6-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 121207045
tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 22975821
tert-butyl (2S)-6-methyl-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxylate
CID 125451955
tert-butyl 4-(oxomethylidene)spiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 141448698
tert-butyl 4-oxospiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-1'-carboxylate
CID 126638043
tert-butyl 6-bromo-4-oxospiro[3H-chromene-2,4'-azepane]-1'-carboxylate
CID 67071399
tert-butyl (2R)-7-methoxy-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxylate
CID 125451881

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-oxospiro[2,9-dihydrofuro[3,4-f][1,4]benzodioxine-3,4'-piperidine]-1'-carboxylate;ethane?
The IUPAC name of tert-butyl 7-oxospiro[2,9-dihydrofuro[3,4-f][1,4]benzodioxine-3,4'-piperidine]-1'-carboxylate;ethane (CID 170729282) is tert-butyl 7-oxospiro[2,9-dihydrofuro[3,4-f][1,4]benzodioxine-3,4'-piperidine]-1'-carboxylate;ethane.
What is the SMILES notation for tert-butyl 7-oxospiro[2,9-dihydrofuro[3,4-f][1,4]benzodioxine-3,4'-piperidine]-1'-carboxylate;ethane?
The canonical SMILES for tert-butyl 7-oxospiro[2,9-dihydrofuro[3,4-f][1,4]benzodioxine-3,4'-piperidine]-1'-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CCC2(CC1)COc1c(ccc3c1COC3=O)O2.
What is the InChIKey of tert-butyl 7-oxospiro[2,9-dihydrofuro[3,4-f][1,4]benzodioxine-3,4'-piperidine]-1'-carboxylate;ethane?
The InChIKey is WCADFFWEGBTCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6.C2H6/c1-18(2,3)26-17(22)20-8-6-19(7-9-20)11-24-15-13-10-23-16(21)12(13)4-5-14(15)25-19;1-2/h4-5H,6-11H2,1-3H3;1-2H3.
What are the key properties of tert-butyl 7-oxospiro[2,9-dihydrofuro[3,4-f][1,4]benzodioxine-3,4'-piperidine]-1'-carboxylate;ethane?
tert-butyl 7-oxospiro[2,9-dihydrofuro[3,4-f][1,4]benzodioxine-3,4'-piperidine]-1'-carboxylate;ethane has a molecular weight of 391.46 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-oxospiro[2,9-dihydrofuro[3,4-f][1,4]benzodioxine-3,4'-piperidine]-1'-carboxylate;ethane is sourced from PubChem (CID 170729282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).