1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane];1-tert-butylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone

C85H126N8O3 — CID 158993856

IUPAC1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane];1-tert-butylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)(C)CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)(C)N1CC2(CCCO2)c2ccccc21.CC(C)(C)N1CC2(CCNCC2)c2ccccc21.CC(C)(C)N1CC2(CCOC2)c2ccccc21
InChIInChI=1S/C21H34N2.C18H26N2O.C16H24N2.2C15H21NO/c1-19(2,3)15-22-13-11-21(12-14-22)16-23(20(4,5)6)18-10-8-7-9-17(18)21;1-14(21)19-11-9-18(10-12-19)13-20(17(2,3)4)16-8-6-5-7-15(16)18;1-15(2,3)18-12-16(8-10-17-11-9-16)13-6-4-5-7-14(13)18;1-14(2,3)16-11-15(9-6-10-17-15)12-7-4-5-8-13(12)16;1-14(2,3)16-10-15(8-9-17-11-15)12-6-4-5-7-13(12)16/h7-10H,11-16H2,1-6H3;5-8H,9-13H2,1-4H3;4-7,17H,8-12H2,1-3H3;4-5,7-8H,6,9-11H2,1-3H3;4-7H,8-11H2,1-3H3
InChIKeyJQMNYQYJRJVZQM-UHFFFAOYSA-N
MW1308.00 g/mol
LogP17.07
Rot. Bonds1

About 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane];1-tert-butylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone

1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane];1-tert-butylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone (PubChem CID 158993856) has the molecular formula C85H126N8O3 and a molecular weight of 1308.00 g/mol. Its IUPAC name is 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane];1-tert-butylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone.

Molecular Properties

Compound Name1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane];1-tert-butylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone
PubChem CID158993856
Molecular FormulaC85H126N8O3
Molecular Weight1308.00 g/mol
Exact Mass1307.00
IUPAC Name1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane];1-tert-butylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)(C)CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)(C)N1CC2(CCCO2)c2ccccc21.CC(C)(C)N1CC2(CCNCC2)c2ccccc21.CC(C)(C)N1CC2(CCOC2)c2ccccc21
InChIInChI=1S/C21H34N2.C18H26N2O.C16H24N2.2C15H21NO/c1-19(2,3)15-22-13-11-21(12-14-22)16-23(20(4,5)6)18-10-8-7-9-17(18)21;1-14(21)19-11-9-18(10-12-19)13-20(17(2,3)4)16-8-6-5-7-15(16)18;1-15(2,3)18-12-16(8-10-17-11-9-16)13-6-4-5-7-14(13)18;1-14(2,3)16-11-15(9-6-10-17-15)12-7-4-5-8-13(12)16;1-14(2,3)16-10-15(8-9-17-11-15)12-6-4-5-7-13(12)16/h7-10H,11-16H2,1-6H3;5-8H,9-13H2,1-4H3;4-7,17H,8-12H2,1-3H3;4-5,7-8H,6,9-11H2,1-3H3;4-7H,8-11H2,1-3H3
InChIKeyJQMNYQYJRJVZQM-UHFFFAOYSA-N
XLogP17.07
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001308.00
LogP ≤ 517.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane];1-tert-butylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane]
CID 157057162
benzyl (2R,4S)-2-[[(3R)-1-acetyl-2,3-dihydroindol-3-yl]methyl]-4-acetyloxypyrrolidine-1-carboxylate;benzyl (2R,4S)-2-[[(3S)-1-acetyl-2,3-dihydroindol-3-yl]methyl]-4-acetyloxypyrrolidine-1-carboxylate;benzyl (2R,4S)-4-acetyloxy-2-[[(3R)-2,3-dihydro-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate;benzyl (2R,4S)-4-acetyloxy-2-[[(3S)-2,3-dihydro-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate
CID 157139734
1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-ethylspiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane]
CID 158091826
1-tert-butyl-3,4-dihydro-2H-quinoline;1-tert-butyl-4,4-dimethyl-2,3-dihydroquinoline;1-tert-butyl-1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-methyl-3,4-dihydro-2H-quinoline;1-tert-butyl-1'-methylspiro[2H-indole-3,4'-piperidine];1-tert-butyl-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-ol;1-tert-butyl-N-propan-2-ylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide;1-tert-butylspiro[2H-indole-3,4'-piperidine];2-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanol;1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone
CID 158547042
benzyl 1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate;1-tert-butyl-3,3-dimethyl-2H-indole;1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]
CID 158719765
1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,2'-oxolane];1-tert-butylspiro[2,3-dihydro-1H-naphthalene-4,3'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane]
CID 161328604
1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane]
CID 161651610
1-O'-benzyl 1-O-tert-butyl 5-(morpholin-4-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1,1'-dicarboxylate;tert-butyl 1'-acetyl-5-(morpholin-4-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;tert-butyl 5-(morpholin-4-ylmethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 161734872
1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine];1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,4'-oxane];1-tert-butylspiro[2,3-dihydroquinoline-4,2'-oxolane];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane]
CID 162151319

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane];1-tert-butylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone?
The IUPAC name of 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane];1-tert-butylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone (CID 158993856) is 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane];1-tert-butylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone.
What is the SMILES notation for 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane];1-tert-butylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone?
The canonical SMILES for 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane];1-tert-butylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone is CC(=O)N1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)(C)CN1CCC2(CC1)CN(C(C)(C)C)c1ccccc12.CC(C)(C)N1CC2(CCCO2)c2ccccc21.CC(C)(C)N1CC2(CCNCC2)c2ccccc21.CC(C)(C)N1CC2(CCOC2)c2ccccc21.
What is the InChIKey of 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane];1-tert-butylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone?
The InChIKey is JQMNYQYJRJVZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2.C18H26N2O.C16H24N2.2C15H21NO/c1-19(2,3)15-22-13-11-21(12-14-22)16-23(20(4,5)6)18-10-8-7-9-17(18)21;1-14(21)19-11-9-18(10-12-19)13-20(17(2,3)4)16-8-6-5-7-15(16)18;1-15(2,3)18-12-16(8-10-17-11-9-16)13-6-4-5-7-14(13)18;1-14(2,3)16-11-15(9-6-10-17-15)12-7-4-5-8-13(12)16;1-14(2,3)16-10-15(8-9-17-11-15)12-6-4-5-7-13(12)16/h7-10H,11-16H2,1-6H3;5-8H,9-13H2,1-4H3;4-7,17H,8-12H2,1-3H3;4-5,7-8H,6,9-11H2,1-3H3;4-7H,8-11H2,1-3H3.
What are the key properties of 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane];1-tert-butylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone?
1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane];1-tert-butylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone has a molecular weight of 1308.00 g/mol, XLogP of 17.07, 1 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2H-indole-3,2'-oxolane];1-tert-butylspiro[2H-indole-3,3'-oxolane];1-tert-butylspiro[2H-indole-3,4'-piperidine];1-(1-tert-butylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanone is sourced from PubChem (CID 158993856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).