1-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;1-[5-(aminomethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(methylamino)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyl-1-methyl-2,3-dihydroindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methoxy-1H-indol-3-yl)butan-1-one

C145H189N15O11 — CID 158663251

About 1-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;1-[5-(aminomethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(methylamino)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyl-1-methyl-2,3-dihydroindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methoxy-1H-indol-3-yl)butan-1-one

1-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;1-[5-(aminomethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(methylamino)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyl-1-methyl-2,3-dihydroindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methoxy-1H-indol-3-yl)butan-1-one (PubChem CID 158663251) has the molecular formula C145H189N15O11 and a molecular weight of 2318.20 g/mol. Its IUPAC name is 1-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;1-[5-(aminomethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(methylamino)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyl-1-methyl-2,3-dihydroindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methoxy-1H-indol-3-yl)butan-1-one.

Molecular Properties

• Compound Name: 1-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;1-[5-(aminomethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(methylamino)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyl-1-methyl-2,3-dihydroindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methoxy-1H-indol-3-yl)butan-1-one
• PubChem CID: 158663251
• Molecular Formula: C145H189N15O11
• Molecular Weight: 2318.20 g/mol
• Exact Mass: 2316.47
• IUPAC Name: 1-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;1-[5-(aminomethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(methylamino)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyl-1-methyl-2,3-dihydroindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methoxy-1H-indol-3-yl)butan-1-one
• SMILES: CC(CC(=O)N1C2CC3CC1CC(CN)(C3)C2)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(N)(C3)C2)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)C1CN(C)c2cccc(C3CC3)c21.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(OC3CC3)c12.CNC12CC3CC(C1)N(C(=O)CC(C)c1c[nH]c4cccc(C5CC5)c14)C(C3)C2.COc1cccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)c12
• InChI: InChI=1S/2C25H33N3O.C25H34N2O2.C24H31N3O.C24H30N2O3.C22H28N2O3/c1-15(21-14-27-22-5-3-4-20(24(21)22)17-6-7-17)8-23(29)28-18-9-16-10-19(28)13-25(11-16,12-18)26-2;1-15(21-13-27-22-4-2-3-20(24(21)22)17-5-6-17)7-23(29)28-18-8-16-9-19(28)12-25(10-16,11-18)14-26;1-15(21-14-26(2)22-5-3-4-20(24(21)22)17-6-7-17)8-23(28)27-18-9-16-10-19(27)13-25(29,11-16)12-18;1-14(20-13-26-21-4-2-3-19(23(20)21)16-5-6-16)7-22(28)27-17-8-15-9-18(27)12-24(25,10-15)11-17;1-14(19-13-25-20-3-2-4-21(23(19)20)29-18-5-6-18)7-22(27)26-16-8-15-9-17(26)12-24(28,10-15)11-16;1-13(17-12-23-18-4-3-5-19(27-2)21(17)18)6-20(25)24-15-7-14-8-16(24)11-22(26,9-14)10-15/h3-5,14-19,26-27H,6-13H2,1-2H3;2-4,13,15-19,27H,5-12,14,26H2,1H3;3-5,15-19,21,29H,6-14H2,1-2H3;2-4,13-18,26H,5-12,25H2,1H3;2-4,13-18,25,28H,5-12H2,1H3;3-5,12-16,23,26H,6-11H2,1-2H3
• InChIKey: IDAFTNSGORNLRU-UHFFFAOYSA-N
• XLogP: 25.45
• TPSA: 347.27 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 15
• Rotatable Bonds: 27
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2318.20
LogP ≤ 5	25.45
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;1-[5-(aminomethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(methylamino)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyl-1-methyl-2,3-dihydroindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methoxy-1H-indol-3-yl)butan-1-one?

The IUPAC name of 1-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;1-[5-(aminomethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(methylamino)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyl-1-methyl-2,3-dihydroindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methoxy-1H-indol-3-yl)butan-1-one (CID 158663251) is 1-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;1-[5-(aminomethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(methylamino)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyl-1-methyl-2,3-dihydroindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methoxy-1H-indol-3-yl)butan-1-one.

What is the SMILES notation for 1-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;1-[5-(aminomethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(methylamino)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyl-1-methyl-2,3-dihydroindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methoxy-1H-indol-3-yl)butan-1-one?

The canonical SMILES for 1-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;1-[5-(aminomethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(methylamino)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyl-1-methyl-2,3-dihydroindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methoxy-1H-indol-3-yl)butan-1-one is CC(CC(=O)N1C2CC3CC1CC(CN)(C3)C2)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(N)(C3)C2)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)C1CN(C)c2cccc(C3CC3)c21.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(OC3CC3)c12.CNC12CC3CC(C1)N(C(=O)CC(C)c1c[nH]c4cccc(C5CC5)c14)C(C3)C2.COc1cccc2[nH]cc(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)c12.

What is the InChIKey of 1-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;1-[5-(aminomethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(methylamino)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyl-1-methyl-2,3-dihydroindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methoxy-1H-indol-3-yl)butan-1-one?

The InChIKey is IDAFTNSGORNLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H33N3O.C25H34N2O2.C24H31N3O.C24H30N2O3.C22H28N2O3/c1-15(21-14-27-22-5-3-4-20(24(21)22)17-6-7-17)8-23(29)28-18-9-16-10-19(28)13-25(11-16,12-18)26-2;1-15(21-13-27-22-4-2-3-20(24(21)22)17-5-6-17)7-23(29)28-18-8-16-9-19(28)12-25(10-16,11-18)14-26;1-15(21-14-26(2)22-5-3-4-20(24(21)22)17-6-7-17)8-23(28)27-18-9-16-10-19(27)13-25(29,11-16)12-18;1-14(20-13-26-21-4-2-3-19(23(20)21)16-5-6-16)7-22(28)27-17-8-15-9-18(27)12-24(25,10-15)11-17;1-14(19-13-25-20-3-2-4-21(23(19)20)29-18-5-6-18)7-22(27)26-16-8-15-9-17(26)12-24(28,10-15)11-16;1-13(17-12-23-18-4-3-5-19(27-2)21(17)18)6-20(25)24-15-7-14-8-16(24)11-22(26,9-14)10-15/h3-5,14-19,26-27H,6-13H2,1-2H3;2-4,13,15-19,27H,5-12,14,26H2,1H3;3-5,15-19,21,29H,6-14H2,1-2H3;2-4,13-18,26H,5-12,25H2,1H3;2-4,13-18,25,28H,5-12H2,1H3;3-5,12-16,23,26H,6-11H2,1-2H3.

What are the key properties of 1-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;1-[5-(aminomethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(methylamino)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyl-1-methyl-2,3-dihydroindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methoxy-1H-indol-3-yl)butan-1-one?

1-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;1-[5-(aminomethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(methylamino)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyl-1-methyl-2,3-dihydroindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methoxy-1H-indol-3-yl)butan-1-one has a molecular weight of 2318.20 g/mol, XLogP of 25.45, 27 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;1-[5-(aminomethyl)-2-azatricyclo[3.3.1.13,7]decan-2-yl]-3-(4-cyclopropyl-1H-indol-3-yl)butan-1-one;3-(4-cyclopropyl-1H-indol-3-yl)-1-[5-(methylamino)-2-azatricyclo[3.3.1.13,7]decan-2-yl]butan-1-one;3-(4-cyclopropyl-1-methyl-2,3-dihydroindol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyloxy-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-methoxy-1H-indol-3-yl)butan-1-one is sourced from PubChem (CID 158663251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).