1,1'-dimethylspiro[indole-3,4'-piperidine]-2-one;5-methyl-1,3-benzothiazole;5-methyl-1,3-benzoxazole;1'-methyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine];1-methyl-3-propan-2-yloxybenzene;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;1-(1'-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl)ethanone;1,3,5-trimethylbenzene

C93H118N10O7S2 — CID 158132206

About 1,1'-dimethylspiro[indole-3,4'-piperidine]-2-one;5-methyl-1,3-benzothiazole;5-methyl-1,3-benzoxazole;1'-methyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine];1-methyl-3-propan-2-yloxybenzene;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;1-(1'-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl)ethanone;1,3,5-trimethylbenzene

1,1'-dimethylspiro[indole-3,4'-piperidine]-2-one;5-methyl-1,3-benzothiazole;5-methyl-1,3-benzoxazole;1'-methyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine];1-methyl-3-propan-2-yloxybenzene;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;1-(1'-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl)ethanone;1,3,5-trimethylbenzene (PubChem CID 158132206) has the molecular formula C93H118N10O7S2 and a molecular weight of 1552.16 g/mol. Its IUPAC name is 1,1'-dimethylspiro[indole-3,4'-piperidine]-2-one;5-methyl-1,3-benzothiazole;5-methyl-1,3-benzoxazole;1'-methyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine];1-methyl-3-propan-2-yloxybenzene;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;1-(1'-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl)ethanone;1,3,5-trimethylbenzene.

Molecular Properties

• Compound Name: 1,1'-dimethylspiro[indole-3,4'-piperidine]-2-one;5-methyl-1,3-benzothiazole;5-methyl-1,3-benzoxazole;1'-methyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine];1-methyl-3-propan-2-yloxybenzene;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;1-(1'-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl)ethanone;1,3,5-trimethylbenzene
• PubChem CID: 158132206
• Molecular Formula: C93H118N10O7S2
• Molecular Weight: 1552.16 g/mol
• Exact Mass: 1550.86
• IUPAC Name: 1,1'-dimethylspiro[indole-3,4'-piperidine]-2-one;5-methyl-1,3-benzothiazole;5-methyl-1,3-benzoxazole;1'-methyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine];1-methyl-3-propan-2-yloxybenzene;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;1-(1'-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl)ethanone;1,3,5-trimethylbenzene
• SMILES: CC(=O)N1CCc2ccccc2C12CCN(C)CC2.CN1CCC2(CC1)C(=O)N(C)c1ccccc12.CN1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12.CN1CCC2(CC1)NC(=O)Cc1ccccc12.Cc1cc(C)cc(C)c1.Cc1ccc2ocnc2c1.Cc1ccc2scnc2c1.Cc1cccc(OC(C)C)c1
• InChI: InChI=1S/C16H22N2O.C14H20N2O2S.2C14H18N2O.C10H14O.C9H12.C8H7NO.C8H7NS/c1-13(19)18-10-7-14-5-3-4-6-15(14)16(18)8-11-17(2)12-9-16;1-15-9-7-14(8-10-15)11-16(19(2,17)18)13-6-4-3-5-12(13)14;1-15-9-7-14(8-10-15)11-5-3-4-6-12(11)16(2)13(14)17;1-16-8-6-14(7-9-16)12-5-3-2-4-11(12)10-13(17)15-14;1-8(2)11-10-6-4-5-9(3)7-10;1-7-4-8(2)6-9(3)5-7;2*1-6-2-3-8-7(4-6)9-5-10-8/h3-6H,7-12H2,1-2H3;3-6H,7-11H2,1-2H3;3-6H,7-10H2,1-2H3;2-5H,6-10H2,1H3,(H,15,17);4-8H,1-3H3;4-6H,1-3H3;2*2-5H,1H3
• InChIKey: FSXLVDGFUDUKTB-UHFFFAOYSA-N
• XLogP: 16.48
• TPSA: 168.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 3
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1552.16
LogP ≤ 5	16.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1,1'-dimethylspiro[indole-3,4'-piperidine]-2-one;5-methyl-1,3-benzothiazole;5-methyl-1,3-benzoxazole;1'-methyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine];1-methyl-3-propan-2-yloxybenzene;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;1-(1'-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl)ethanone;1,3,5-trimethylbenzene?

The IUPAC name of 1,1'-dimethylspiro[indole-3,4'-piperidine]-2-one;5-methyl-1,3-benzothiazole;5-methyl-1,3-benzoxazole;1'-methyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine];1-methyl-3-propan-2-yloxybenzene;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;1-(1'-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl)ethanone;1,3,5-trimethylbenzene (CID 158132206) is 1,1'-dimethylspiro[indole-3,4'-piperidine]-2-one;5-methyl-1,3-benzothiazole;5-methyl-1,3-benzoxazole;1'-methyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine];1-methyl-3-propan-2-yloxybenzene;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;1-(1'-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl)ethanone;1,3,5-trimethylbenzene.

What is the SMILES notation for 1,1'-dimethylspiro[indole-3,4'-piperidine]-2-one;5-methyl-1,3-benzothiazole;5-methyl-1,3-benzoxazole;1'-methyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine];1-methyl-3-propan-2-yloxybenzene;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;1-(1'-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl)ethanone;1,3,5-trimethylbenzene?

The canonical SMILES for 1,1'-dimethylspiro[indole-3,4'-piperidine]-2-one;5-methyl-1,3-benzothiazole;5-methyl-1,3-benzoxazole;1'-methyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine];1-methyl-3-propan-2-yloxybenzene;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;1-(1'-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl)ethanone;1,3,5-trimethylbenzene is CC(=O)N1CCc2ccccc2C12CCN(C)CC2.CN1CCC2(CC1)C(=O)N(C)c1ccccc12.CN1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12.CN1CCC2(CC1)NC(=O)Cc1ccccc12.Cc1cc(C)cc(C)c1.Cc1ccc2ocnc2c1.Cc1ccc2scnc2c1.Cc1cccc(OC(C)C)c1.

What is the InChIKey of 1,1'-dimethylspiro[indole-3,4'-piperidine]-2-one;5-methyl-1,3-benzothiazole;5-methyl-1,3-benzoxazole;1'-methyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine];1-methyl-3-propan-2-yloxybenzene;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;1-(1'-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl)ethanone;1,3,5-trimethylbenzene?

The InChIKey is FSXLVDGFUDUKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.C14H20N2O2S.2C14H18N2O.C10H14O.C9H12.C8H7NO.C8H7NS/c1-13(19)18-10-7-14-5-3-4-6-15(14)16(18)8-11-17(2)12-9-16;1-15-9-7-14(8-10-15)11-16(19(2,17)18)13-6-4-3-5-12(13)14;1-15-9-7-14(8-10-15)11-5-3-4-6-12(11)16(2)13(14)17;1-16-8-6-14(7-9-16)12-5-3-2-4-11(12)10-13(17)15-14;1-8(2)11-10-6-4-5-9(3)7-10;1-7-4-8(2)6-9(3)5-7;2*1-6-2-3-8-7(4-6)9-5-10-8/h3-6H,7-12H2,1-2H3;3-6H,7-11H2,1-2H3;3-6H,7-10H2,1-2H3;2-5H,6-10H2,1H3,(H,15,17);4-8H,1-3H3;4-6H,1-3H3;2*2-5H,1H3.

What are the key properties of 1,1'-dimethylspiro[indole-3,4'-piperidine]-2-one;5-methyl-1,3-benzothiazole;5-methyl-1,3-benzoxazole;1'-methyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine];1-methyl-3-propan-2-yloxybenzene;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;1-(1'-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl)ethanone;1,3,5-trimethylbenzene?

1,1'-dimethylspiro[indole-3,4'-piperidine]-2-one;5-methyl-1,3-benzothiazole;5-methyl-1,3-benzoxazole;1'-methyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine];1-methyl-3-propan-2-yloxybenzene;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;1-(1'-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl)ethanone;1,3,5-trimethylbenzene has a molecular weight of 1552.16 g/mol, XLogP of 16.48, 3 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1'-dimethylspiro[indole-3,4'-piperidine]-2-one;5-methyl-1,3-benzothiazole;5-methyl-1,3-benzoxazole;1'-methyl-1-methylsulfonylspiro[2H-indole-3,4'-piperidine];1-methyl-3-propan-2-yloxybenzene;1'-methylspiro[2,4-dihydroisoquinoline-1,4'-piperidine]-3-one;1-(1'-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl)ethanone;1,3,5-trimethylbenzene is sourced from PubChem (CID 158132206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).