1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-4-methyl-2,3-dihydroquinoxaline;1-tert-butyl-6-methylindole;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 2-(1-tert-butylindol-3-yl)acetate

C137H199N13O4 — CID 158376930

IUPAC1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-4-methyl-2,3-dihydroquinoxaline;1-tert-butyl-6-methylindole;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 2-(1-tert-butylindol-3-yl)acetate
SMILESCC(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.CN1CCN(C(C)(C)C)c2ccccc21.COC(=O)Cc1cn(C(C)(C)C)c2ccccc12.Cc1ccc2ccn(C(C)(C)C)c2c1
InChIInChI=1S/C23H30N2.C20H30N2O.C20H32N2.C19H30N2.C15H19NO2.C14H21NO.C13H20N2.C13H17N/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;1-15(2,3)16-10-11(9-14(17)18-4)12-7-5-6-8-13(12)16;1-13(2,3)15-10-14(4,5)16-12-9-7-6-8-11(12)15;1-13(2,3)15-10-9-14(4)11-7-5-6-8-12(11)15;1-10-5-6-11-7-8-14(12(11)9-10)13(2,3)4/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;5-8,10H,9H2,1-4H3;6-9H,10H2,1-5H3;5-8H,9-10H2,1-4H3;5-9H,1-4H3
InChIKeyGVHVQFDXEWPKTJ-UHFFFAOYSA-N
MW2092.19 g/mol
LogP30.02
Rot. Bonds8

About 1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-4-methyl-2,3-dihydroquinoxaline;1-tert-butyl-6-methylindole;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 2-(1-tert-butylindol-3-yl)acetate

1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-4-methyl-2,3-dihydroquinoxaline;1-tert-butyl-6-methylindole;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 2-(1-tert-butylindol-3-yl)acetate (PubChem CID 158376930) has the molecular formula C137H199N13O4 and a molecular weight of 2092.19 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-4-methyl-2,3-dihydroquinoxaline;1-tert-butyl-6-methylindole;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 2-(1-tert-butylindol-3-yl)acetate.

Molecular Properties

Compound Name1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-4-methyl-2,3-dihydroquinoxaline;1-tert-butyl-6-methylindole;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 2-(1-tert-butylindol-3-yl)acetate
PubChem CID158376930
Molecular FormulaC137H199N13O4
Molecular Weight2092.19 g/mol
Exact Mass2090.58
IUPAC Name1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-4-methyl-2,3-dihydroquinoxaline;1-tert-butyl-6-methylindole;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 2-(1-tert-butylindol-3-yl)acetate
SMILESCC(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.CN1CCN(C(C)(C)C)c2ccccc21.COC(=O)Cc1cn(C(C)(C)C)c2ccccc12.Cc1ccc2ccn(C(C)(C)C)c2c1
InChIInChI=1S/C23H30N2.C20H30N2O.C20H32N2.C19H30N2.C15H19NO2.C14H21NO.C13H20N2.C13H17N/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;1-15(2,3)16-10-11(9-14(17)18-4)12-7-5-6-8-13(12)16;1-13(2,3)15-10-14(4,5)16-12-9-7-6-8-11(12)15;1-13(2,3)15-10-9-14(4)11-7-5-6-8-12(11)15;1-10-5-6-11-7-8-14(12(11)9-10)13(2,3)4/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;5-8,10H,9H2,1-4H3;6-9H,10H2,1-5H3;5-8H,9-10H2,1-4H3;5-9H,1-4H3
InChIKeyGVHVQFDXEWPKTJ-UHFFFAOYSA-N
XLogP30.02
TPSA98.10 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002092.19
LogP ≤ 530.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-4-methyl-2,3-dihydroquinoxaline;1-tert-butyl-6-methylindole;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 2-(1-tert-butylindol-3-yl)acetate with MolForge

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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-4-methyl-2,3-dihydroquinoxaline;1-tert-butyl-6-methylindole;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 2-(1-tert-butylindol-3-yl)acetate?
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-4-methyl-2,3-dihydroquinoxaline;1-tert-butyl-6-methylindole;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 2-(1-tert-butylindol-3-yl)acetate (CID 158376930) is 1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-4-methyl-2,3-dihydroquinoxaline;1-tert-butyl-6-methylindole;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 2-(1-tert-butylindol-3-yl)acetate.
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-4-methyl-2,3-dihydroquinoxaline;1-tert-butyl-6-methylindole;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 2-(1-tert-butylindol-3-yl)acetate?
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-4-methyl-2,3-dihydroquinoxaline;1-tert-butyl-6-methylindole;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 2-(1-tert-butylindol-3-yl)acetate 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.CN1CCN(C(C)(C)C)c2ccccc21.COC(=O)Cc1cn(C(C)(C)C)c2ccccc12.Cc1ccc2ccn(C(C)(C)C)c2c1.
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-4-methyl-2,3-dihydroquinoxaline;1-tert-butyl-6-methylindole;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 2-(1-tert-butylindol-3-yl)acetate?
The InChIKey is GVHVQFDXEWPKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2.C20H30N2O.C20H32N2.C19H30N2.C15H19NO2.C14H21NO.C13H20N2.C13H17N/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;1-15(2,3)16-10-11(9-14(17)18-4)12-7-5-6-8-13(12)16;1-13(2,3)15-10-14(4,5)16-12-9-7-6-8-11(12)15;1-13(2,3)15-10-9-14(4)11-7-5-6-8-12(11)15;1-10-5-6-11-7-8-14(12(11)9-10)13(2,3)4/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;5-8,10H,9H2,1-4H3;6-9H,10H2,1-5H3;5-8H,9-10H2,1-4H3;5-9H,1-4H3.
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-4-methyl-2,3-dihydroquinoxaline;1-tert-butyl-6-methylindole;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 2-(1-tert-butylindol-3-yl)acetate?
1'-benzyl-1-tert-butylspiro[2H-indole-3,4'-piperidine];4-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazine;1-tert-butyl-4-methyl-2,3-dihydroquinoxaline;1-tert-butyl-6-methylindole;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 2-(1-tert-butylindol-3-yl)acetate has a molecular weight of 2092.19 g/mol, XLogP of 30.02, 8 rotatable bonds, 0 hydrogen bond donors, and 16 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-4-methyl-2,3-dihydroquinoxaline;1-tert-butyl-6-methylindole;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 2-(1-tert-butylindol-3-yl)acetate is sourced from PubChem (CID 158376930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).