1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-propan-2-ylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-methylpropan-1-one;methyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate

C114H169N11O4 — CID 161131794

About 1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-propan-2-ylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-methylpropan-1-one;methyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate

1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-propan-2-ylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-methylpropan-1-one;methyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate (PubChem CID 161131794) has the molecular formula C114H169N11O4 and a molecular weight of 1757.68 g/mol. Its IUPAC name is 1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-propan-2-ylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-methylpropan-1-one;methyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

• Compound Name: 1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-propan-2-ylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-methylpropan-1-one;methyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate
• PubChem CID: 161131794
• Molecular Formula: C114H169N11O4
• Molecular Weight: 1757.68 g/mol
• Exact Mass: 1756.34
• IUPAC Name: 1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-propan-2-ylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-methylpropan-1-one;methyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate
• SMILES: CC(C)(C)N1CC2(CCN(Cc3ccccc3)CC2)c2ccccc21.CC(C)C(=O)N1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)N1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC1(C)CN(C(C)(C)C)c2ccccc2O1.COC(=O)N1CCC2(CC1)CN(C(C)(C)C)c1ccccc12
• InChI: InChI=1S/C23H30N2.C20H30N2O.C20H32N2.C19H30N2.C18H26N2O2.C14H21NO/c1-22(2,3)25-18-23(20-11-7-8-12-21(20)25)13-15-24(16-14-23)17-19-9-5-4-6-10-19;1-15(2)18(23)21-12-10-20(11-13-21)14-22(19(3,4)5)17-9-7-6-8-16(17)20;1-16(2)14-21-12-10-20(11-13-21)15-22(19(3,4)5)18-9-7-6-8-17(18)20;1-15(2)20-12-10-19(11-13-20)14-21(18(3,4)5)17-9-7-6-8-16(17)19;1-17(2,3)20-13-18(14-7-5-6-8-15(14)20)9-11-19(12-10-18)16(21)22-4;1-13(2,3)15-10-14(4,5)16-12-9-7-6-8-11(12)15/h4-12H,13-18H2,1-3H3;6-9,15H,10-14H2,1-5H3;6-9,16H,10-15H2,1-5H3;6-9,15H,10-14H2,1-5H3;5-8H,9-13H2,1-4H3;6-9H,10H2,1-5H3
• InChIKey: UMHBWBZYPHWMKB-UHFFFAOYSA-N
• XLogP: 23.87
• TPSA: 88.24 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1757.68
LogP ≤ 5	23.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-propan-2-ylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-methylpropan-1-one;methyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate?

The IUPAC name of 1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-propan-2-ylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-methylpropan-1-one;methyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate (CID 161131794) is 1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-propan-2-ylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-methylpropan-1-one;methyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate.

What is the SMILES notation for 1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-propan-2-ylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-methylpropan-1-one;methyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate?

The canonical SMILES for 1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-propan-2-ylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-methylpropan-1-one;methyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate is CC(C)(C)N1CC2(CCN(Cc3ccccc3)CC2)c2ccccc21.CC(C)C(=O)N1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)N1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC1(C)CN(C(C)(C)C)c2ccccc2O1.COC(=O)N1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.

What is the InChIKey of 1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-propan-2-ylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-methylpropan-1-one;methyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate?

The InChIKey is UMHBWBZYPHWMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2.C20H30N2O.C20H32N2.C19H30N2.C18H26N2O2.C14H21NO/c1-22(2,3)25-18-23(20-11-7-8-12-21(20)25)13-15-24(16-14-23)17-19-9-5-4-6-10-19;1-15(2)18(23)21-12-10-20(11-13-21)14-22(19(3,4)5)17-9-7-6-8-16(17)20;1-16(2)14-21-12-10-20(11-13-21)15-22(19(3,4)5)18-9-7-6-8-17(18)20;1-15(2)20-12-10-19(11-13-20)14-21(18(3,4)5)17-9-7-6-8-16(17)19;1-17(2,3)20-13-18(14-7-5-6-8-15(14)20)9-11-19(12-10-18)16(21)22-4;1-13(2,3)15-10-14(4,5)16-12-9-7-6-8-11(12)15/h4-12H,13-18H2,1-3H3;6-9,15H,10-14H2,1-5H3;6-9,16H,10-15H2,1-5H3;6-9,15H,10-14H2,1-5H3;5-8H,9-13H2,1-4H3;6-9H,10H2,1-5H3.

What are the key properties of 1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-propan-2-ylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-methylpropan-1-one;methyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate?

1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-propan-2-ylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-methylpropan-1-one;methyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate has a molecular weight of 1757.68 g/mol, XLogP of 23.87, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-propan-2-ylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)-2-methylpropan-1-one;methyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 161131794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).