1-O'-tert-butyl 1-O-ethyl 5,6-dimethylspiro[indene-3,4'-piperidine]-1,1'-dicarboxylate;ethane

C₂₅H₃₇NO₄ — CID 142950861

About 1-O'-tert-butyl 1-O-ethyl 5,6-dimethylspiro[indene-3,4'-piperidine]-1,1'-dicarboxylate;ethane

1-O'-tert-butyl 1-O-ethyl 5,6-dimethylspiro[indene-3,4'-piperidine]-1,1'-dicarboxylate;ethane (PubChem CID 142950861) has the molecular formula C₂₅H₃₇NO₄ and a molecular weight of 415.57 g/mol. Its IUPAC name is 1-O'-tert-butyl 1-O-ethyl 5,6-dimethylspiro[indene-3,4'-piperidine]-1,1'-dicarboxylate;ethane.

Molecular Properties

• Compound Name: 1-O'-tert-butyl 1-O-ethyl 5,6-dimethylspiro[indene-3,4'-piperidine]-1,1'-dicarboxylate;ethane
• PubChem CID: 142950861
• Molecular Formula: C₂₅H₃₇NO₄
• Molecular Weight: 415.57 g/mol
• Exact Mass: 415.27
• IUPAC Name: 1-O'-tert-butyl 1-O-ethyl 5,6-dimethylspiro[indene-3,4'-piperidine]-1,1'-dicarboxylate;ethane
• SMILES: CC.CCOC(=O)C1=CC2(CCN(C(=O)OC(C)(C)C)CC2)c2cc(C)c(C)cc21
• InChI: InChI=1S/C23H31NO4.C2H6/c1-7-27-20(25)18-14-23(19-13-16(3)15(2)12-17(18)19)8-10-24(11-9-23)21(26)28-22(4,5)6;1-2/h12-14H,7-11H2,1-6H3;1-2H3
• InChIKey: UZEVWWKQASCTRM-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.57
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-O'-tert-butyl 1-O-ethyl 5,6-dimethylspiro[indene-3,4'-piperidine]-1,1'-dicarboxylate;ethane?

The IUPAC name of 1-O'-tert-butyl 1-O-ethyl 5,6-dimethylspiro[indene-3,4'-piperidine]-1,1'-dicarboxylate;ethane (CID 142950861) is 1-O'-tert-butyl 1-O-ethyl 5,6-dimethylspiro[indene-3,4'-piperidine]-1,1'-dicarboxylate;ethane.

What is the SMILES notation for 1-O'-tert-butyl 1-O-ethyl 5,6-dimethylspiro[indene-3,4'-piperidine]-1,1'-dicarboxylate;ethane?

The canonical SMILES for 1-O'-tert-butyl 1-O-ethyl 5,6-dimethylspiro[indene-3,4'-piperidine]-1,1'-dicarboxylate;ethane is CC.CCOC(=O)C1=CC2(CCN(C(=O)OC(C)(C)C)CC2)c2cc(C)c(C)cc21.

What is the InChIKey of 1-O'-tert-butyl 1-O-ethyl 5,6-dimethylspiro[indene-3,4'-piperidine]-1,1'-dicarboxylate;ethane?

The InChIKey is UZEVWWKQASCTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4.C2H6/c1-7-27-20(25)18-14-23(19-13-16(3)15(2)12-17(18)19)8-10-24(11-9-23)21(26)28-22(4,5)6;1-2/h12-14H,7-11H2,1-6H3;1-2H3.

What are the key properties of 1-O'-tert-butyl 1-O-ethyl 5,6-dimethylspiro[indene-3,4'-piperidine]-1,1'-dicarboxylate;ethane?

1-O'-tert-butyl 1-O-ethyl 5,6-dimethylspiro[indene-3,4'-piperidine]-1,1'-dicarboxylate;ethane has a molecular weight of 415.57 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-O'-tert-butyl 1-O-ethyl 5,6-dimethylspiro[indene-3,4'-piperidine]-1,1'-dicarboxylate;ethane is sourced from PubChem (CID 142950861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142950861 — identifiers, structure, computed properties (public domain)

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