1-O'-tert-butyl 5-O-methyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1',5-dicarboxylate

C20H28N2O4 — CID 170899546

IUPAC1-O'-tert-butyl 5-O-methyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1',5-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2N
InChIInChI=1S/C20H28N2O4/c1-19(2,3)26-18(24)22-9-7-20(8-10-22)12-16(21)14-6-5-13(11-15(14)20)17(23)25-4/h5-6,11,16H,7-10,12,21H2,1-4H3
InChIKeyNSEUFSWSDCJUJQ-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.15
Rot. Bonds1

About 1-O'-tert-butyl 5-O-methyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1',5-dicarboxylate

1-O'-tert-butyl 5-O-methyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1',5-dicarboxylate (PubChem CID 170899546) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-O'-tert-butyl 5-O-methyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1',5-dicarboxylate.

Molecular Properties

Compound Name1-O'-tert-butyl 5-O-methyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1',5-dicarboxylate
PubChem CID170899546
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-O'-tert-butyl 5-O-methyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1',5-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2N
InChIInChI=1S/C20H28N2O4/c1-19(2,3)26-18(24)22-9-7-20(8-10-22)12-16(21)14-6-5-13(11-15(14)20)17(23)25-4/h5-6,11,16H,7-10,12,21H2,1-4H3
InChIKeyNSEUFSWSDCJUJQ-UHFFFAOYSA-N
XLogP3.15
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-O'-tert-butyl 5-O-methyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1',5-dicarboxylate?
The IUPAC name of 1-O'-tert-butyl 5-O-methyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1',5-dicarboxylate (CID 170899546) is 1-O'-tert-butyl 5-O-methyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1',5-dicarboxylate.
What is the SMILES notation for 1-O'-tert-butyl 5-O-methyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1',5-dicarboxylate?
The canonical SMILES for 1-O'-tert-butyl 5-O-methyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1',5-dicarboxylate is COC(=O)c1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)CC2N.
What is the InChIKey of 1-O'-tert-butyl 5-O-methyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1',5-dicarboxylate?
The InChIKey is NSEUFSWSDCJUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-19(2,3)26-18(24)22-9-7-20(8-10-22)12-16(21)14-6-5-13(11-15(14)20)17(23)25-4/h5-6,11,16H,7-10,12,21H2,1-4H3.
What are the key properties of 1-O'-tert-butyl 5-O-methyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1',5-dicarboxylate?
1-O'-tert-butyl 5-O-methyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1',5-dicarboxylate has a molecular weight of 360.45 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O'-tert-butyl 5-O-methyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1',5-dicarboxylate is sourced from PubChem (CID 170899546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).