1-O'-tert-butyl 2-O-methyl 1-amino-6-methoxyspiro[4H-naphthalene-3,4'-piperidine]-1',2-dicarboxylate

C22H30N2O5 — CID 118060994

IUPAC1-O'-tert-butyl 2-O-methyl 1-amino-6-methoxyspiro[4H-naphthalene-3,4'-piperidine]-1',2-dicarboxylate
SMILESCOC(=O)C1=C(N)c2ccc(OC)cc2CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C22H30N2O5/c1-21(2,3)29-20(26)24-10-8-22(9-11-24)13-14-12-15(27-4)6-7-16(14)18(23)17(22)19(25)28-5/h6-7,12H,8-11,13,23H2,1-5H3
InChIKeyBPLXFQSJKWFAIR-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.11
Rot. Bonds2

About 1-O'-tert-butyl 2-O-methyl 1-amino-6-methoxyspiro[4H-naphthalene-3,4'-piperidine]-1',2-dicarboxylate

1-O'-tert-butyl 2-O-methyl 1-amino-6-methoxyspiro[4H-naphthalene-3,4'-piperidine]-1',2-dicarboxylate (PubChem CID 118060994) has the molecular formula C22H30N2O5 and a molecular weight of 402.49 g/mol. Its IUPAC name is 1-O'-tert-butyl 2-O-methyl 1-amino-6-methoxyspiro[4H-naphthalene-3,4'-piperidine]-1',2-dicarboxylate.

Molecular Properties

Compound Name1-O'-tert-butyl 2-O-methyl 1-amino-6-methoxyspiro[4H-naphthalene-3,4'-piperidine]-1',2-dicarboxylate
PubChem CID118060994
Molecular FormulaC22H30N2O5
Molecular Weight402.49 g/mol
Exact Mass402.22
IUPAC Name1-O'-tert-butyl 2-O-methyl 1-amino-6-methoxyspiro[4H-naphthalene-3,4'-piperidine]-1',2-dicarboxylate
SMILESCOC(=O)C1=C(N)c2ccc(OC)cc2CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C22H30N2O5/c1-21(2,3)29-20(26)24-10-8-22(9-11-24)13-14-12-15(27-4)6-7-16(14)18(23)17(22)19(25)28-5/h6-7,12H,8-11,13,23H2,1-5H3
InChIKeyBPLXFQSJKWFAIR-UHFFFAOYSA-N
XLogP3.11
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-O'-tert-butyl 2-O-methyl 1-amino-6-methoxyspiro[4H-naphthalene-3,4'-piperidine]-1',2-dicarboxylate with MolForge

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Related Compounds

1-amino-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[4H-naphthalene-3,3'-pyrrolidine]-2-carboxylic acid
CID 141387537
tert-butyl spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,4'-piperidine]-1'-carboxylate
CID 146553615
tert-butyl 6-methoxy-4-oxospiro[3H-thiochromene-2,4'-piperidine]-1'-carboxylate
CID 59312165
tert-butyl 6-isocyano-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate
CID 156626381
tert-butyl 5-methylsulfanyl-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate
CID 142433829
tert-butyl (2R)-7-methoxy-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxylate
CID 125451881
tert-butyl 4-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methylpiperidine-1-carboxylate
CID 154713293
tert-butyl 4-hydroxy-4-[(3-methoxyanilino)methyl]piperidine-1-carboxylate
CID 126847258
tert-butyl 4-(4-methoxy-2-methoxycarbonylphenyl)piperidine-1-carboxylate
CID 11279519
1-O'-tert-butyl 5-O-methyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1',5-dicarboxylate
CID 170899546
tert-butyl (3Z)-3-[(R)-tert-butylsulfinyl]imino-6-fluorospiro[1H-indene-2,4'-piperidine]-1'-carboxylate
CID 176654489
tert-butyl 4,5,6-trifluoro-3-oxospiro[1H-indene-2,4'-piperidine]-1'-carboxylate
CID 142434181

Frequently Asked Questions

What is the IUPAC name of 1-O'-tert-butyl 2-O-methyl 1-amino-6-methoxyspiro[4H-naphthalene-3,4'-piperidine]-1',2-dicarboxylate?
The IUPAC name of 1-O'-tert-butyl 2-O-methyl 1-amino-6-methoxyspiro[4H-naphthalene-3,4'-piperidine]-1',2-dicarboxylate (CID 118060994) is 1-O'-tert-butyl 2-O-methyl 1-amino-6-methoxyspiro[4H-naphthalene-3,4'-piperidine]-1',2-dicarboxylate.
What is the SMILES notation for 1-O'-tert-butyl 2-O-methyl 1-amino-6-methoxyspiro[4H-naphthalene-3,4'-piperidine]-1',2-dicarboxylate?
The canonical SMILES for 1-O'-tert-butyl 2-O-methyl 1-amino-6-methoxyspiro[4H-naphthalene-3,4'-piperidine]-1',2-dicarboxylate is COC(=O)C1=C(N)c2ccc(OC)cc2CC12CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of 1-O'-tert-butyl 2-O-methyl 1-amino-6-methoxyspiro[4H-naphthalene-3,4'-piperidine]-1',2-dicarboxylate?
The InChIKey is BPLXFQSJKWFAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5/c1-21(2,3)29-20(26)24-10-8-22(9-11-24)13-14-12-15(27-4)6-7-16(14)18(23)17(22)19(25)28-5/h6-7,12H,8-11,13,23H2,1-5H3.
What are the key properties of 1-O'-tert-butyl 2-O-methyl 1-amino-6-methoxyspiro[4H-naphthalene-3,4'-piperidine]-1',2-dicarboxylate?
1-O'-tert-butyl 2-O-methyl 1-amino-6-methoxyspiro[4H-naphthalene-3,4'-piperidine]-1',2-dicarboxylate has a molecular weight of 402.49 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O'-tert-butyl 2-O-methyl 1-amino-6-methoxyspiro[4H-naphthalene-3,4'-piperidine]-1',2-dicarboxylate is sourced from PubChem (CID 118060994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).