1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;2-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]propane-1,2-dione;1-[5-[1-(4-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]ethane-1,2-dione;1-[5-[1-(3-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione

C141H162N16O16 — CID 161077398

About 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;2-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]propane-1,2-dione;1-[5-[1-(4-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]ethane-1,2-dione;1-[5-[1-(3-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione

1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;2-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]propane-1,2-dione;1-[5-[1-(4-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]ethane-1,2-dione;1-[5-[1-(3-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione (PubChem CID 161077398) has the molecular formula C141H162N16O16 and a molecular weight of 2336.94 g/mol. Its IUPAC name is 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;2-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]propane-1,2-dione;1-[5-[1-(4-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]ethane-1,2-dione;1-[5-[1-(3-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione.

Molecular Properties

• Compound Name: 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;2-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]propane-1,2-dione;1-[5-[1-(4-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]ethane-1,2-dione;1-[5-[1-(3-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione
• PubChem CID: 161077398
• Molecular Formula: C141H162N16O16
• Molecular Weight: 2336.94 g/mol
• Exact Mass: 2335.24
• IUPAC Name: 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;2-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]propane-1,2-dione;1-[5-[1-(4-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]ethane-1,2-dione;1-[5-[1-(3-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione
• SMILES: C=C(OC(C)(C)C)N1CCN(C(=O)C(=O)c2c[nH]c3ccc(C(=C)N4CCC(Cc5ccccc5)CC4)cc23)CC1.C=C(c1ccc2[nH]cc(C(=O)C(=O)N3CCNCC3)c2c1)N1CCCC(Cc2ccccc2)C1.CC(=O)C(=O)c1c[nH]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc12.CCN(CC)CCNC(=O)C(=O)c1c[nH]c2cc(OC)c(C(=O)N3CCC(Cc4ccccc4)CC3)cc12.COc1cc2[nH]cc(C(=O)C(C)=O)c2cc1C(=O)N1CCC(Cc2ccccc2)CC1
• InChI: InChI=1S/C34H42N4O3.C30H38N4O4.C28H32N4O2.C25H26N2O4.C24H24N2O3/c1-24(36-15-13-27(14-16-36)21-26-9-7-6-8-10-26)28-11-12-31-29(22-28)30(23-35-31)32(39)33(40)38-19-17-37(18-20-38)25(2)41-34(3,4)5;1-4-33(5-2)16-13-31-29(36)28(35)25-20-32-26-19-27(38-3)24(18-23(25)26)30(37)34-14-11-22(12-15-34)17-21-9-7-6-8-10-21;1-20(32-13-5-8-22(19-32)16-21-6-3-2-4-7-21)23-9-10-26-24(17-23)25(18-30-26)27(33)28(34)31-14-11-29-12-15-31;1-16(28)24(29)21-15-26-22-14-23(31-2)20(13-19(21)22)25(30)27-10-8-18(9-11-27)12-17-6-4-3-5-7-17;1-16(27)23(28)21-15-25-22-8-7-19(14-20(21)22)24(29)26-11-9-18(10-12-26)13-17-5-3-2-4-6-17/h6-12,22-23,27,35H,1-2,13-21H2,3-5H3;6-10,18-20,22,32H,4-5,11-17H2,1-3H3,(H,31,36);2-4,6-7,9-10,17-18,22,29-30H,1,5,8,11-16,19H2;3-7,13-15,18,26H,8-12H2,1-2H3;2-8,14-15,18,25H,9-13H2,1H3
• InChIKey: UFLPVDOIQZYUGW-UHFFFAOYSA-N
• XLogP: 21.40
• TPSA: 381.77 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 36
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2336.94
LogP ≤ 5	21.40
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;2-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]propane-1,2-dione;1-[5-[1-(4-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]ethane-1,2-dione;1-[5-[1-(3-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione?

The IUPAC name of 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;2-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]propane-1,2-dione;1-[5-[1-(4-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]ethane-1,2-dione;1-[5-[1-(3-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione (CID 161077398) is 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;2-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]propane-1,2-dione;1-[5-[1-(4-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]ethane-1,2-dione;1-[5-[1-(3-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione.

What is the SMILES notation for 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;2-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]propane-1,2-dione;1-[5-[1-(4-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]ethane-1,2-dione;1-[5-[1-(3-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione?

The canonical SMILES for 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;2-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]propane-1,2-dione;1-[5-[1-(4-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]ethane-1,2-dione;1-[5-[1-(3-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione is C=C(OC(C)(C)C)N1CCN(C(=O)C(=O)c2c[nH]c3ccc(C(=C)N4CCC(Cc5ccccc5)CC4)cc23)CC1.C=C(c1ccc2[nH]cc(C(=O)C(=O)N3CCNCC3)c2c1)N1CCCC(Cc2ccccc2)C1.CC(=O)C(=O)c1c[nH]c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc12.CCN(CC)CCNC(=O)C(=O)c1c[nH]c2cc(OC)c(C(=O)N3CCC(Cc4ccccc4)CC3)cc12.COc1cc2[nH]cc(C(=O)C(C)=O)c2cc1C(=O)N1CCC(Cc2ccccc2)CC1.

What is the InChIKey of 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;2-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]propane-1,2-dione;1-[5-[1-(4-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]ethane-1,2-dione;1-[5-[1-(3-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione?

The InChIKey is UFLPVDOIQZYUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N4O3.C30H38N4O4.C28H32N4O2.C25H26N2O4.C24H24N2O3/c1-24(36-15-13-27(14-16-36)21-26-9-7-6-8-10-26)28-11-12-31-29(22-28)30(23-35-31)32(39)33(40)38-19-17-37(18-20-38)25(2)41-34(3,4)5;1-4-33(5-2)16-13-31-29(36)28(35)25-20-32-26-19-27(38-3)24(18-23(25)26)30(37)34-14-11-22(12-15-34)17-21-9-7-6-8-10-21;1-20(32-13-5-8-22(19-32)16-21-6-3-2-4-7-21)23-9-10-26-24(17-23)25(18-30-26)27(33)28(34)31-14-11-29-12-15-31;1-16(28)24(29)21-15-26-22-14-23(31-2)20(13-19(21)22)25(30)27-10-8-18(9-11-27)12-17-6-4-3-5-7-17;1-16(27)23(28)21-15-25-22-8-7-19(14-20(21)22)24(29)26-11-9-18(10-12-26)13-17-5-3-2-4-6-17/h6-12,22-23,27,35H,1-2,13-21H2,3-5H3;6-10,18-20,22,32H,4-5,11-17H2,1-3H3,(H,31,36);2-4,6-7,9-10,17-18,22,29-30H,1,5,8,11-16,19H2;3-7,13-15,18,26H,8-12H2,1-2H3;2-8,14-15,18,25H,9-13H2,1H3.

What are the key properties of 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;2-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]propane-1,2-dione;1-[5-[1-(4-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]ethane-1,2-dione;1-[5-[1-(3-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione?

1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;2-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]propane-1,2-dione;1-[5-[1-(4-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]ethane-1,2-dione;1-[5-[1-(3-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione has a molecular weight of 2336.94 g/mol, XLogP of 21.40, 36 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]propane-1,2-dione;2-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]-N-[2-(diethylamino)ethyl]-2-oxoacetamide;1-[5-(4-benzylpiperidine-1-carbonyl)-6-methoxy-1H-indol-3-yl]propane-1,2-dione;1-[5-[1-(4-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-[4-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperazin-1-yl]ethane-1,2-dione;1-[5-[1-(3-benzylpiperidin-1-yl)ethenyl]-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione is sourced from PubChem (CID 161077398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).