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-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]propane-1,2-dione

C138H155F3N16O17 — CID 157299223

About 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-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-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-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]propane-1,2-dione (PubChem CID 157299223) has the molecular formula C138H155F3N16O17 and a molecular weight of 2366.85 g/mol. Its IUPAC name is 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-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]propane-1,2-dione.

Molecular Properties

• Compound Name: 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-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]propane-1,2-dione
• PubChem CID: 157299223
• Molecular Formula: C138H155F3N16O17
• Molecular Weight: 2366.85 g/mol
• Exact Mass: 2365.17
• IUPAC Name: 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-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]propane-1,2-dione
• SMILES: CC(=O)C(=O)c1c(C)[nH]c2ccc(C(=O)N3CCC(Cc4ccc(F)cc4)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.Cc1[nH]c2ccc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc2c1C(=O)C(=O)N1CCN(C)CC1.Cc1cc2[nH]cc(C(=O)C(=O)N3CCN(C)CC3)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1
• InChI: InChI=1S/C30H38N4O4.2C29H33FN4O3.C25H25FN2O3.C25H26N2O4/c1-4-33(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;1-19-26(27(35)29(37)34-15-13-32(2)14-16-34)24-18-22(5-8-25(24)31-19)28(36)33-11-9-21(10-12-33)17-20-3-6-23(30)7-4-20;1-19-15-26-24(25(18-31-26)27(35)29(37)34-13-11-32(2)12-14-34)17-23(19)28(36)33-9-7-21(8-10-33)16-20-3-5-22(30)6-4-20;1-15-23(24(30)16(2)29)21-14-19(5-8-22(21)27-15)25(31)28-11-9-18(10-12-28)13-17-3-6-20(26)7-4-17;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/h6-10,18-20,22,32H,4-5,11-17H2,1-3H3,(H,31,36);3-8,18,21,31H,9-17H2,1-2H3;3-6,15,17-18,21,31H,7-14,16H2,1-2H3;3-8,14,18,27H,9-13H2,1-2H3;3-7,13-15,18,26H,8-12H2,1-2H3
• InChIKey: BBRWEUVUXXAJAL-UHFFFAOYSA-N
• XLogP: 19.77
• TPSA: 397.89 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 32
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2366.85
LogP ≤ 5	19.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]propane-1,2-dione?

The IUPAC name of 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-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]propane-1,2-dione (CID 157299223) is 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-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]propane-1,2-dione.

What is the SMILES notation for 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-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]propane-1,2-dione?

The canonical SMILES for 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-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]propane-1,2-dione is CC(=O)C(=O)c1c(C)[nH]c2ccc(C(=O)N3CCC(Cc4ccc(F)cc4)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.Cc1[nH]c2ccc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc2c1C(=O)C(=O)N1CCN(C)CC1.Cc1cc2[nH]cc(C(=O)C(=O)N3CCN(C)CC3)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.

What is the InChIKey of 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-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]propane-1,2-dione?

The InChIKey is BBRWEUVUXXAJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O4.2C29H33FN4O3.C25H25FN2O3.C25H26N2O4/c1-4-33(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;1-19-26(27(35)29(37)34-15-13-32(2)14-16-34)24-18-22(5-8-25(24)31-19)28(36)33-11-9-21(10-12-33)17-20-3-6-23(30)7-4-20;1-19-15-26-24(25(18-31-26)27(35)29(37)34-13-11-32(2)12-14-34)17-23(19)28(36)33-9-7-21(8-10-33)16-20-3-5-22(30)6-4-20;1-15-23(24(30)16(2)29)21-14-19(5-8-22(21)27-15)25(31)28-11-9-18(10-12-28)13-17-3-6-20(26)7-4-17;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/h6-10,18-20,22,32H,4-5,11-17H2,1-3H3,(H,31,36);3-8,18,21,31H,9-17H2,1-2H3;3-6,15,17-18,21,31H,7-14,16H2,1-2H3;3-8,14,18,27H,9-13H2,1-2H3;3-7,13-15,18,26H,8-12H2,1-2H3.

What are the key properties of 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-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-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-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]propane-1,2-dione has a molecular weight of 2366.85 g/mol, XLogP of 19.77, 32 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 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-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]propane-1,2-dione is sourced from PubChem (CID 157299223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).