2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-2,6-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2,4-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione

C142H165F5N18O19 — CID 158610469

About 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-2,6-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2,4-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione

2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-2,6-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2,4-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione (PubChem CID 158610469) has the molecular formula C142H165F5N18O19 and a molecular weight of 2522.98 g/mol. Its IUPAC name is 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-2,6-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2,4-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione.

Molecular Properties

• Compound Name: 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-2,6-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2,4-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
• PubChem CID: 158610469
• Molecular Formula: C142H165F5N18O19
• Molecular Weight: 2522.98 g/mol
• Exact Mass: 2521.24
• IUPAC Name: 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-2,6-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2,4-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
• SMILES: COc1cc2[nH]c(C)c(C(=O)C(=O)N(C)C)c2c(C)c1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.COc1cc2[nH]c(C)c(C(=O)C(=O)N(C)C)c2cc1C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C.COc1cc2[nH]c(C)c(C(=O)C(=O)N3CCC(C)CC3)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.COc1cc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C.Cc1cc2[nH]c(C)c(C(=O)C(=O)N(C)C)c2cc1C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C
• InChI: InChI=1S/C31H36FN3O4.C28H33FN4O4.C28H33FN4O3.C28H32FN3O4.C27H31FN4O4/c1-19-8-12-35(13-9-19)31(38)29(36)28-20(2)33-26-18-27(39-3)25(17-24(26)28)30(37)34-14-10-22(11-15-34)16-21-4-6-23(32)7-5-21;1-16-14-33(17(2)13-32(16)15-19-7-9-20(29)10-8-19)27(35)22-11-21-23(12-24(22)37-6)30-18(3)25(21)26(34)28(36)31(4)5;1-16-11-24-23(25(19(4)30-24)26(34)28(36)31(5)6)12-22(16)27(35)33-14-17(2)32(13-18(33)3)15-20-7-9-21(29)10-8-20;1-16-23-21(30-17(2)25(23)26(33)28(35)31(3)4)15-22(36-5)24(16)27(34)32-12-10-19(11-13-32)14-18-6-8-20(29)9-7-18;1-16-14-32(17(2)13-31(16)15-18-6-8-19(28)9-7-18)26(34)21-10-20-22(25(33)27(35)30(3)4)12-29-23(20)11-24(21)36-5/h4-7,17-19,22,33H,8-16H2,1-3H3;7-12,16-17,30H,13-15H2,1-6H3;7-12,17-18,30H,13-15H2,1-6H3;6-9,15,19,30H,10-14H2,1-5H3;6-12,16-17,29H,13-15H2,1-5H3/t;16-,17+;17-,18+;;16-,17+/m.00.0/s1
• InChIKey: HWTSLVJOHMQMGJ-RYMFKAOFSA-N
• XLogP: 20.34
• TPSA: 414.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 29
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2522.98
LogP ≤ 5	20.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-2,6-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2,4-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione?

The IUPAC name of 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-2,6-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2,4-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione (CID 158610469) is 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-2,6-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2,4-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione.

What is the SMILES notation for 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-2,6-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2,4-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione?

The canonical SMILES for 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-2,6-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2,4-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione is COc1cc2[nH]c(C)c(C(=O)C(=O)N(C)C)c2c(C)c1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.COc1cc2[nH]c(C)c(C(=O)C(=O)N(C)C)c2cc1C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C.COc1cc2[nH]c(C)c(C(=O)C(=O)N3CCC(C)CC3)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.COc1cc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C.Cc1cc2[nH]c(C)c(C(=O)C(=O)N(C)C)c2cc1C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C.

What is the InChIKey of 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-2,6-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2,4-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione?

The InChIKey is HWTSLVJOHMQMGJ-RYMFKAOFSA-N. The full InChI is InChI=1S/C31H36FN3O4.C28H33FN4O4.C28H33FN4O3.C28H32FN3O4.C27H31FN4O4/c1-19-8-12-35(13-9-19)31(38)29(36)28-20(2)33-26-18-27(39-3)25(17-24(26)28)30(37)34-14-10-22(11-15-34)16-21-4-6-23(32)7-5-21;1-16-14-33(17(2)13-32(16)15-19-7-9-20(29)10-8-19)27(35)22-11-21-23(12-24(22)37-6)30-18(3)25(21)26(34)28(36)31(4)5;1-16-11-24-23(25(19(4)30-24)26(34)28(36)31(5)6)12-22(16)27(35)33-14-17(2)32(13-18(33)3)15-20-7-9-21(29)10-8-20;1-16-23-21(30-17(2)25(23)26(33)28(35)31(3)4)15-22(36-5)24(16)27(34)32-12-10-19(11-13-32)14-18-6-8-20(29)9-7-18;1-16-14-32(17(2)13-31(16)15-18-6-8-19(28)9-7-18)26(34)21-10-20-22(25(33)27(35)30(3)4)12-29-23(20)11-24(21)36-5/h4-7,17-19,22,33H,8-16H2,1-3H3;7-12,16-17,30H,13-15H2,1-6H3;7-12,17-18,30H,13-15H2,1-6H3;6-9,15,19,30H,10-14H2,1-5H3;6-12,16-17,29H,13-15H2,1-5H3/t;16-,17+;17-,18+;;16-,17+/m.00.0/s1.

What are the key properties of 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-2,6-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2,4-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione?

2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-2,6-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2,4-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione has a molecular weight of 2522.98 g/mol, XLogP of 20.34, 29 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-2,6-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2,4-dimethyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 158610469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).