tert-butyl 1-[2-[acetyl(methyl)amino]propan-2-yl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate

C26H40N2O3 — CID 71127102

About tert-butyl 1-[2-[acetyl(methyl)amino]propan-2-yl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate

tert-butyl 1-[2-[acetyl(methyl)amino]propan-2-yl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate (PubChem CID 71127102) has the molecular formula C26H40N2O3 and a molecular weight of 428.62 g/mol. Its IUPAC name is tert-butyl 1-[2-[acetyl(methyl)amino]propan-2-yl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 1-[2-[acetyl(methyl)amino]propan-2-yl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
• PubChem CID: 71127102
• Molecular Formula: C26H40N2O3
• Molecular Weight: 428.62 g/mol
• Exact Mass: 428.30
• IUPAC Name: tert-butyl 1-[2-[acetyl(methyl)amino]propan-2-yl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
• SMILES: CC(=O)N(C)C(C)(C)C1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2cc(C)c(C)cc21
• InChI: InChI=1S/C26H40N2O3/c1-17-14-20-21(15-18(17)2)26(16-22(20)25(7,8)27(9)19(3)29)10-12-28(13-11-26)23(30)31-24(4,5)6/h14-15,22H,10-13,16H2,1-9H3
• InChIKey: NNTNVMUPZWNMQA-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 49.85 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.62
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[2-[acetyl(methyl)amino]propan-2-yl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate?

The IUPAC name of tert-butyl 1-[2-[acetyl(methyl)amino]propan-2-yl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate (CID 71127102) is tert-butyl 1-[2-[acetyl(methyl)amino]propan-2-yl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate.

What is the SMILES notation for tert-butyl 1-[2-[acetyl(methyl)amino]propan-2-yl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate?

The canonical SMILES for tert-butyl 1-[2-[acetyl(methyl)amino]propan-2-yl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate is CC(=O)N(C)C(C)(C)C1CC2(CCN(C(=O)OC(C)(C)C)CC2)c2cc(C)c(C)cc21.

What is the InChIKey of tert-butyl 1-[2-[acetyl(methyl)amino]propan-2-yl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate?

The InChIKey is NNTNVMUPZWNMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O3/c1-17-14-20-21(15-18(17)2)26(16-22(20)25(7,8)27(9)19(3)29)10-12-28(13-11-26)23(30)31-24(4,5)6/h14-15,22H,10-13,16H2,1-9H3.

What are the key properties of tert-butyl 1-[2-[acetyl(methyl)amino]propan-2-yl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate?

tert-butyl 1-[2-[acetyl(methyl)amino]propan-2-yl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate has a molecular weight of 428.62 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 1-[2-[acetyl(methyl)amino]propan-2-yl]-5,6-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 71127102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).