2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione

C136H144Cl5F5N16O16 — CID 158010999

About 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione

2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione (PubChem CID 158010999) has the molecular formula C136H144Cl5F5N16O16 and a molecular weight of 2531.00 g/mol. Its IUPAC name is 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione.

Molecular Properties

• Compound Name: 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
• PubChem CID: 158010999
• Molecular Formula: C136H144Cl5F5N16O16
• Molecular Weight: 2531.00 g/mol
• Exact Mass: 2526.93
• IUPAC Name: 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
• SMILES: CC(C)N(C)C(=O)C(=O)c1c[nH]c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.CCN(CC)C(=O)C(=O)c1c[nH]c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.Cc1[nH]c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc2c1C(=O)C(=O)N(C)C.Cc1[nH]c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc2c1C(=O)C(=O)N1CCN(C)CC1.O=C(C(=O)N1CCOCC1)c1c[nH]c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12
• InChI: InChI=1S/C29H32ClFN4O3.C27H27ClFN3O4.2C27H29ClFN3O3.C26H27ClFN3O3/c1-18-26(27(36)29(38)35-13-11-33(2)12-14-35)23-16-22(24(30)17-25(23)32-18)28(37)34-9-7-20(8-10-34)15-19-3-5-21(31)6-4-19;28-23-15-24-20(22(16-30-24)25(33)27(35)32-9-11-36-12-10-32)14-21(23)26(34)31-7-5-18(6-8-31)13-17-1-3-19(29)4-2-17;1-16(2)31(3)27(35)25(33)22-15-30-24-14-23(28)21(13-20(22)24)26(34)32-10-8-18(9-11-32)12-17-4-6-19(29)7-5-17;1-3-31(4-2)27(35)25(33)22-16-30-24-15-23(28)21(14-20(22)24)26(34)32-11-9-18(10-12-32)13-17-5-7-19(29)8-6-17;1-15-23(24(32)26(34)30(2)3)20-13-19(21(27)14-22(20)29-15)25(33)31-10-8-17(9-11-31)12-16-4-6-18(28)7-5-16/h3-6,16-17,20,32H,7-15H2,1-2H3;1-4,14-16,18,30H,5-13H2;4-7,13-16,18,30H,8-12H2,1-3H3;5-8,14-16,18,30H,3-4,9-13H2,1-2H3;4-7,13-14,17,29H,8-12H2,1-3H3
• InChIKey: FEWOBYWGYMFYLE-UHFFFAOYSA-N
• XLogP: 23.26
• TPSA: 379.87 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 28
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2531.00
LogP ≤ 5	23.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?

The IUPAC name of 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione (CID 158010999) is 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione.

What is the SMILES notation for 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?

The canonical SMILES for 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione is CC(C)N(C)C(=O)C(=O)c1c[nH]c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.CCN(CC)C(=O)C(=O)c1c[nH]c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.Cc1[nH]c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc2c1C(=O)C(=O)N(C)C.Cc1[nH]c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc2c1C(=O)C(=O)N1CCN(C)CC1.O=C(C(=O)N1CCOCC1)c1c[nH]c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.

What is the InChIKey of 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?

The InChIKey is FEWOBYWGYMFYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClFN4O3.C27H27ClFN3O4.2C27H29ClFN3O3.C26H27ClFN3O3/c1-18-26(27(36)29(38)35-13-11-33(2)12-14-35)23-16-22(24(30)17-25(23)32-18)28(37)34-9-7-20(8-10-34)15-19-3-5-21(31)6-4-19;28-23-15-24-20(22(16-30-24)25(33)27(35)32-9-11-36-12-10-32)14-21(23)26(34)31-7-5-18(6-8-31)13-17-1-3-19(29)4-2-17;1-16(2)31(3)27(35)25(33)22-15-30-24-14-23(28)21(13-20(22)24)26(34)32-10-8-18(9-11-32)12-17-4-6-19(29)7-5-17;1-3-31(4-2)27(35)25(33)22-16-30-24-15-23(28)21(14-20(22)24)26(34)32-11-9-18(10-12-32)13-17-5-7-19(29)8-6-17;1-15-23(24(32)26(34)30(2)3)20-13-19(21(27)14-22(20)29-15)25(33)31-10-8-17(9-11-31)12-16-4-6-18(28)7-5-16/h3-6,16-17,20,32H,7-15H2,1-2H3;1-4,14-16,18,30H,5-13H2;4-7,13-16,18,30H,8-12H2,1-3H3;5-8,14-16,18,30H,3-4,9-13H2,1-2H3;4-7,13-14,17,29H,8-12H2,1-3H3.

What are the key properties of 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?

2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione has a molecular weight of 2531.00 g/mol, XLogP of 23.26, 28 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methyl-1H-indol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 158010999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).