1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one

C148H194F2N14O13 — CID 160529092

About 1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one

1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one (PubChem CID 160529092) has the molecular formula C148H194F2N14O13 and a molecular weight of 2415.26 g/mol. Its IUPAC name is 1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one.

Molecular Properties

• Compound Name: 1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one
• PubChem CID: 160529092
• Molecular Formula: C148H194F2N14O13
• Molecular Weight: 2415.26 g/mol
• Exact Mass: 2413.49
• IUPAC Name: 1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one
• SMILES: CC(C)Oc1cccc2[nH]cc(C(C)CC(=O)N3C4CC5CC(C4)CC3C5)c12.CC(C)Oc1cccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(F)(C5)C4)c12.CC(C)Oc1cccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)c12.CC(CC(=O)N1C2CC3CC(C2)CC1C3)c1c[nH]c2cccc(N3CCC(C(=O)O)CC3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(N3CCCCC3)c12.Cc1ccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(F)(C5)C4)c2c1C
• InChI: InChI=1S/C27H35N3O3.C26H35N3O2.C24H31FN2O2.C24H32N2O3.C24H32N2O2.C23H29FN2O/c1-16(9-25(31)30-20-11-17-10-18(13-20)14-21(30)12-17)22-15-28-23-3-2-4-24(26(22)23)29-7-5-19(6-8-29)27(32)33;1-17(10-24(30)29-19-11-18-12-20(29)15-26(31,13-18)14-19)21-16-27-22-6-5-7-23(25(21)22)28-8-3-2-4-9-28;1-14(2)29-21-6-4-5-20-23(21)19(13-26-20)15(3)7-22(28)27-17-8-16-9-18(27)12-24(25,10-16)11-17;1-14(2)29-21-6-4-5-20-23(21)19(13-25-20)15(3)7-22(27)26-17-8-16-9-18(26)12-24(28,10-16)11-17;1-14(2)28-22-6-4-5-21-24(22)20(13-25-21)15(3)7-23(27)26-18-9-16-8-17(11-18)12-19(26)10-16;1-13-4-5-20-22(15(13)3)19(12-25-20)14(2)6-21(27)26-17-7-16-8-18(26)11-23(24,9-16)10-17/h2-4,15-21,28H,5-14H2,1H3,(H,32,33);5-7,16-20,27,31H,2-4,8-15H2,1H3;4-6,13-18,26H,7-12H2,1-3H3;4-6,13-18,25,28H,7-12H2,1-3H3;4-6,13-19,25H,7-12H2,1-3H3;4-5,12,14,16-18,25H,6-11H2,1-3H3
• InChIKey: QVHJMEMIUPJZSO-UHFFFAOYSA-N
• XLogP: 29.39
• TPSA: 328.53 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 14
• Rotatable Bonds: 27
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2415.26
LogP ≤ 5	29.39
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one?

The IUPAC name of 1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one (CID 160529092) is 1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one.

What is the SMILES notation for 1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one?

The canonical SMILES for 1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one is CC(C)Oc1cccc2[nH]cc(C(C)CC(=O)N3C4CC5CC(C4)CC3C5)c12.CC(C)Oc1cccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(F)(C5)C4)c12.CC(C)Oc1cccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)c12.CC(CC(=O)N1C2CC3CC(C2)CC1C3)c1c[nH]c2cccc(N3CCC(C(=O)O)CC3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(N3CCCCC3)c12.Cc1ccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(F)(C5)C4)c2c1C.

What is the InChIKey of 1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one?

The InChIKey is QVHJMEMIUPJZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3.C26H35N3O2.C24H31FN2O2.C24H32N2O3.C24H32N2O2.C23H29FN2O/c1-16(9-25(31)30-20-11-17-10-18(13-20)14-21(30)12-17)22-15-28-23-3-2-4-24(26(22)23)29-7-5-19(6-8-29)27(32)33;1-17(10-24(30)29-19-11-18-12-20(29)15-26(31,13-18)14-19)21-16-27-22-6-5-7-23(25(21)22)28-8-3-2-4-9-28;1-14(2)29-21-6-4-5-20-23(21)19(13-26-20)15(3)7-22(28)27-17-8-16-9-18(27)12-24(25,10-16)11-17;1-14(2)29-21-6-4-5-20-23(21)19(13-25-20)15(3)7-22(27)26-17-8-16-9-18(26)12-24(28,10-16)11-17;1-14(2)28-22-6-4-5-21-24(22)20(13-25-21)15(3)7-23(27)26-18-9-16-8-17(11-18)12-19(26)10-16;1-13-4-5-20-22(15(13)3)19(12-25-20)14(2)6-21(27)26-17-7-16-8-18(26)11-23(24,9-16)10-17/h2-4,15-21,28H,5-14H2,1H3,(H,32,33);5-7,16-20,27,31H,2-4,8-15H2,1H3;4-6,13-18,26H,7-12H2,1-3H3;4-6,13-18,25,28H,7-12H2,1-3H3;4-6,13-19,25H,7-12H2,1-3H3;4-5,12,14,16-18,25H,6-11H2,1-3H3.

What are the key properties of 1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one?

1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one has a molecular weight of 2415.26 g/mol, XLogP of 29.39, 27 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one is sourced from PubChem (CID 160529092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).