1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone

C123H156ClN11O13 — CID 158256521

About 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone

1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone (PubChem CID 158256521) has the molecular formula C123H156ClN11O13 and a molecular weight of 2032.12 g/mol. Its IUPAC name is 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone
• PubChem CID: 158256521
• Molecular Formula: C123H156ClN11O13
• Molecular Weight: 2032.12 g/mol
• Exact Mass: 2030.16
• IUPAC Name: 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone
• SMILES: CCC(=O)c1cn(CCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc12.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(C(=O)c2ccccc2)CC1.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(Oc2ccccc2Cl)CC1.COc1cccc2c(C(C)=O)cn(CCCN3CCC(N4CCOCC4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCC4CCCCC4C3)c12
• InChI: InChI=1S/C26H30N2O3.C26H32N2O2.C25H29ClN2O3.C23H33N3O3.C23H32N2O2/c1-19(29)24-18-28(25-10-9-22(31-2)17-23(24)25)14-6-13-27-15-11-21(12-16-27)26(30)20-7-4-3-5-8-20;1-2-25(29)23-20-28(24-12-7-6-11-22(23)24)16-8-15-27-17-13-26(30,14-18-27)19-21-9-4-3-5-10-21;1-18(29)22-17-28(24-9-8-20(30-2)16-21(22)24)13-5-12-27-14-10-19(11-15-27)31-25-7-4-3-6-23(25)26;1-18(27)21-17-26(23-20(21)5-3-6-22(23)28-2)10-4-9-24-11-7-19(8-12-24)25-13-15-29-16-14-25;1-17(26)21-16-25(23-20(21)9-5-10-22(23)27-2)13-6-12-24-14-11-18-7-3-4-8-19(18)15-24/h3-5,7-10,17-18,21H,6,11-16H2,1-2H3;3-7,9-12,20,30H,2,8,13-19H2,1H3;3-4,6-9,16-17,19H,5,10-15H2,1-2H3;3,5-6,17,19H,4,7-16H2,1-2H3;5,9-10,16,18-19H,3-4,6-8,11-15H2,1-2H3
• InChIKey: GHISSQFIMWVIBE-UHFFFAOYSA-N
• XLogP: 22.76
• TPSA: 222.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 37
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2032.12
LogP ≤ 5	22.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone?

The IUPAC name of 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone (CID 158256521) is 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone.

What is the SMILES notation for 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone?

The canonical SMILES for 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone is CCC(=O)c1cn(CCCN2CCC(O)(Cc3ccccc3)CC2)c2ccccc12.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(C(=O)c2ccccc2)CC1.COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(Oc2ccccc2Cl)CC1.COc1cccc2c(C(C)=O)cn(CCCN3CCC(N4CCOCC4)CC3)c12.COc1cccc2c(C(C)=O)cn(CCCN3CCC4CCCCC4C3)c12.

What is the InChIKey of 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone?

The InChIKey is GHISSQFIMWVIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3.C26H32N2O2.C25H29ClN2O3.C23H33N3O3.C23H32N2O2/c1-19(29)24-18-28(25-10-9-22(31-2)17-23(24)25)14-6-13-27-15-11-21(12-16-27)26(30)20-7-4-3-5-8-20;1-2-25(29)23-20-28(24-12-7-6-11-22(23)24)16-8-15-27-17-13-26(30,14-18-27)19-21-9-4-3-5-10-21;1-18(29)22-17-28(24-9-8-20(30-2)16-21(22)24)13-5-12-27-14-10-19(11-15-27)31-25-7-4-3-6-23(25)26;1-18(27)21-17-26(23-20(21)5-3-6-22(23)28-2)10-4-9-24-11-7-19(8-12-24)25-13-15-29-16-14-25;1-17(26)21-16-25(23-20(21)9-5-10-22(23)27-2)13-6-12-24-14-11-18-7-3-4-8-19(18)15-24/h3-5,7-10,17-18,21H,6,11-16H2,1-2H3;3-7,9-12,20,30H,2,8,13-19H2,1H3;3-4,6-9,16-17,19H,5,10-15H2,1-2H3;3,5-6,17,19H,4,7-16H2,1-2H3;5,9-10,16,18-19H,3-4,6-8,11-15H2,1-2H3.

What are the key properties of 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone?

1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone has a molecular weight of 2032.12 g/mol, XLogP of 22.76, 37 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone is sourced from PubChem (CID 158256521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).