tert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate

C17H23NO3 — CID 121418613

IUPACtert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc1O2
InChIInChI=1S/C17H23NO3/c1-16(2,3)21-15(19)18-10-8-17(9-11-18)12-13-6-4-5-7-14(13)20-17/h4-7H,8-12H2,1-3H3
InChIKeySHOXORYXDMIIDZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.39
Rot. Bonds

About tert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate

tert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate (PubChem CID 121418613) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is tert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate
PubChem CID121418613
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nametert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc1O2
InChIInChI=1S/C17H23NO3/c1-16(2,3)21-15(19)18-10-8-17(9-11-18)12-13-6-4-5-7-14(13)20-17/h4-7H,8-12H2,1-3H3
InChIKeySHOXORYXDMIIDZ-UHFFFAOYSA-N
XLogP3.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(oxomethylidene)spiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 141448698
tert-butyl 6-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 121207045
tert-butyl 6-fluorospiro[3H-1-benzofuran-2,3'-pyrrolidine]-1'-carboxylate
CID 129284014
tert-butyl 7-hydroxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate;ethane
CID 143029871
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
tert-butyl 4-oxo-6-(2-sulfanylpropan-2-yl)spiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 146175359
tert-butyl 4-oxospiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-1'-carboxylate
CID 126638043
tert-butyl 2,4-dioxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 155577232
tert-butyl (4Z)-4-(4-methylphenyl)sulfonyloxyiminospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 86660255
tert-butyl (1S)-1-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
CID 166776803
tert-butyl 6-bromo-4-oxospiro[3H-chromene-2,4'-azepane]-1'-carboxylate
CID 67071399
tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 22975821

Frequently Asked Questions

What is the IUPAC name of tert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate (CID 121418613) is tert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc1O2.
What is the InChIKey of tert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate?
The InChIKey is SHOXORYXDMIIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-16(2,3)21-15(19)18-10-8-17(9-11-18)12-13-6-4-5-7-14(13)20-17/h4-7H,8-12H2,1-3H3.
What are the key properties of tert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate?
tert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 121418613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).