3-(5-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-cyclopropyl-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)pentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-3-phenylpropan-1-one;2-[3-(1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-methyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile

C158H186Cl2N16O12 — CID 161095976

About 3-(5-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-cyclopropyl-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)pentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-3-phenylpropan-1-one;2-[3-(1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-methyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile

3-(5-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-cyclopropyl-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)pentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-3-phenylpropan-1-one;2-[3-(1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-methyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile (PubChem CID 161095976) has the molecular formula C158H186Cl2N16O12 and a molecular weight of 2572.23 g/mol. Its IUPAC name is 3-(5-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-cyclopropyl-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)pentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-3-phenylpropan-1-one;2-[3-(1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-methyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile.

Molecular Properties

• Compound Name: 3-(5-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-cyclopropyl-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)pentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-3-phenylpropan-1-one;2-[3-(1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-methyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile
• PubChem CID: 161095976
• Molecular Formula: C158H186Cl2N16O12
• Molecular Weight: 2572.23 g/mol
• Exact Mass: 2569.38
• IUPAC Name: 3-(5-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-cyclopropyl-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)pentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-3-phenylpropan-1-one;2-[3-(1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-methyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile
• SMILES: CC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1c[nH]c2ccccc12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cc(Cl)ccc12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2ccc(Cl)cc12.CCC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2ccccc12.Cc1cccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)c12.O=C(CC(c1c[nH]c2ccccc12)C1CC1)N1C2CC3CC1CC(O)(C3)C2.O=C(CC(c1ccccc1)c1c[nH]c2ccccc12)N1C2CC3CC1CC(O)(C3)C2
• InChI: InChI=1S/C26H28N2O2.C23H27N3O.C23H28N2O2.C22H25N3O.C22H28N2O2.2C21H25ClN2O2/c29-25(28-19-10-17-11-20(28)15-26(30,13-17)14-19)12-22(18-6-2-1-3-7-18)23-16-27-24-9-5-4-8-21(23)24;1-14-4-3-5-20-22(14)19(12-25-20)15(2)6-21(27)26-17-7-16-8-18(26)11-23(9-16,10-17)13-24;26-22(25-16-7-14-8-17(25)12-23(27,10-14)11-16)9-19(15-5-6-15)20-13-24-21-4-2-1-3-18(20)21;1-14(19-12-24-20-5-3-2-4-18(19)20)6-21(26)25-16-7-15-8-17(25)11-22(9-15,10-16)13-23;1-2-15(19-13-23-20-6-4-3-5-18(19)20)9-21(25)24-16-7-14-8-17(24)12-22(26,10-14)11-16;1-12(18-11-23-19-3-2-14(22)7-17(18)19)4-20(25)24-15-5-13-6-16(24)10-21(26,8-13)9-15;1-12(18-11-23-19-7-14(22)2-3-17(18)19)4-20(25)24-15-5-13-6-16(24)10-21(26,8-13)9-15/h1-9,16-17,19-20,22,27,30H,10-15H2;3-5,12,15-18,25H,6-11H2,1-2H3;1-4,13-17,19,24,27H,5-12H2;2-5,12,14-17,24H,6-11H2,1H3;3-6,13-17,23,26H,2,7-12H2,1H3;2*2-3,7,11-13,15-16,23,26H,4-6,8-10H2,1H3
• InChIKey: UHUKNFFFGFFUOB-UHFFFAOYSA-N
• XLogP: 29.94
• TPSA: 401.43 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2572.23
LogP ≤ 5	29.94
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-cyclopropyl-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)pentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-3-phenylpropan-1-one;2-[3-(1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-methyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?

The IUPAC name of 3-(5-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-cyclopropyl-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)pentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-3-phenylpropan-1-one;2-[3-(1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-methyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile (CID 161095976) is 3-(5-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-cyclopropyl-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)pentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-3-phenylpropan-1-one;2-[3-(1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-methyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile.

What is the SMILES notation for 3-(5-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-cyclopropyl-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)pentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-3-phenylpropan-1-one;2-[3-(1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-methyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?

The canonical SMILES for 3-(5-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-cyclopropyl-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)pentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-3-phenylpropan-1-one;2-[3-(1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-methyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile is CC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1c[nH]c2ccccc12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cc(Cl)ccc12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2ccc(Cl)cc12.CCC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2ccccc12.Cc1cccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)c12.O=C(CC(c1c[nH]c2ccccc12)C1CC1)N1C2CC3CC1CC(O)(C3)C2.O=C(CC(c1ccccc1)c1c[nH]c2ccccc12)N1C2CC3CC1CC(O)(C3)C2.

What is the InChIKey of 3-(5-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-cyclopropyl-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)pentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-3-phenylpropan-1-one;2-[3-(1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-methyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?

The InChIKey is UHUKNFFFGFFUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2.C23H27N3O.C23H28N2O2.C22H25N3O.C22H28N2O2.2C21H25ClN2O2/c29-25(28-19-10-17-11-20(28)15-26(30,13-17)14-19)12-22(18-6-2-1-3-7-18)23-16-27-24-9-5-4-8-21(23)24;1-14-4-3-5-20-22(14)19(12-25-20)15(2)6-21(27)26-17-7-16-8-18(26)11-23(9-16,10-17)13-24;26-22(25-16-7-14-8-17(25)12-23(27,10-14)11-16)9-19(15-5-6-15)20-13-24-21-4-2-1-3-18(20)21;1-14(19-12-24-20-5-3-2-4-18(19)20)6-21(26)25-16-7-15-8-17(25)11-22(9-15,10-16)13-23;1-2-15(19-13-23-20-6-4-3-5-18(19)20)9-21(25)24-16-7-14-8-17(24)12-22(26,10-14)11-16;1-12(18-11-23-19-3-2-14(22)7-17(18)19)4-20(25)24-15-5-13-6-16(24)10-21(26,8-13)9-15;1-12(18-11-23-19-7-14(22)2-3-17(18)19)4-20(25)24-15-5-13-6-16(24)10-21(26,8-13)9-15/h1-9,16-17,19-20,22,27,30H,10-15H2;3-5,12,15-18,25H,6-11H2,1-2H3;1-4,13-17,19,24,27H,5-12H2;2-5,12,14-17,24H,6-11H2,1H3;3-6,13-17,23,26H,2,7-12H2,1H3;2*2-3,7,11-13,15-16,23,26H,4-6,8-10H2,1H3.

What are the key properties of 3-(5-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-cyclopropyl-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)pentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-3-phenylpropan-1-one;2-[3-(1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-methyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?

3-(5-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-cyclopropyl-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)pentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-3-phenylpropan-1-one;2-[3-(1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-methyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile has a molecular weight of 2572.23 g/mol, XLogP of 29.94, 24 rotatable bonds, 12 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-cyclopropyl-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)propan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)pentan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-3-phenylpropan-1-one;2-[3-(1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-methyl-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile is sourced from PubChem (CID 161095976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).