2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione

C136H151Cl3F4N20O18 — CID 157084936

About 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione

2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione (PubChem CID 157084936) has the molecular formula C136H151Cl3F4N20O18 and a molecular weight of 2536.18 g/mol. Its IUPAC name is 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione.

Molecular Properties

• Compound Name: 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione
• PubChem CID: 157084936
• Molecular Formula: C136H151Cl3F4N20O18
• Molecular Weight: 2536.18 g/mol
• Exact Mass: 2533.05
• IUPAC Name: 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione
• SMILES: CC1CN(C(=O)c2cc3c(C(=O)C(=O)N(C)C)c[nH]c3cc2Cl)C(C)CN1Cc1ccc(F)cc1.CN(C)C(=O)C(=O)c1c[nH]c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.COc1cc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CC(C)N(C(C)c2ccccc2)CC1C.COc1cc2[nH]cc(C(=O)C(=O)N3CCNCC3)c2cc1C(=O)N1CC(C)N(Cc2ccc(F)cc2)CC1C.C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N3CCOCC3)c[nH]c2cc1Cl
• InChI: InChI=1S/C29H34FN5O4.C28H30ClFN4O4.C28H34N4O4.C26H28ClFN4O3.C25H25ClFN3O3/c1-18-16-35(19(2)15-34(18)17-20-4-6-21(30)7-5-20)28(37)23-12-22-24(14-32-25(22)13-26(23)39-3)27(36)29(38)33-10-8-31-9-11-33;1-17-15-34(18(2)14-33(17)16-19-3-5-20(30)6-4-19)27(36)22-11-21-23(13-31-25(21)12-24(22)29)26(35)28(37)32-7-9-38-10-8-32;1-17-16-32(18(2)15-31(17)19(3)20-10-8-7-9-11-20)27(34)22-12-21-23(26(33)28(35)30(4)5)14-29-24(21)13-25(22)36-6;1-15-13-32(16(2)12-31(15)14-17-5-7-18(28)8-6-17)25(34)20-9-19-21(24(33)26(35)30(3)4)11-29-23(19)10-22(20)27;1-29(2)25(33)23(31)20-14-28-22-13-21(26)19(12-18(20)22)24(32)30-9-7-16(8-10-30)11-15-3-5-17(27)6-4-15/h4-7,12-14,18-19,31-32H,8-11,15-17H2,1-3H3;3-6,11-13,17-18,31H,7-10,14-16H2,1-2H3;7-14,17-19,29H,15-16H2,1-6H3;5-11,15-16,29H,12-14H2,1-4H3;3-6,12-14,16,28H,7-11H2,1-2H3/t;17-,18+;;;/m.0.../s1
• InChIKey: ADZDZUAFEKAWIX-COXIINIHSA-N
• XLogP: 18.44
• TPSA: 420.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2536.18
LogP ≤ 5	18.44
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

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]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione?

The IUPAC name of 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione (CID 157084936) is 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione.

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

The canonical SMILES for 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione is CC1CN(C(=O)c2cc3c(C(=O)C(=O)N(C)C)c[nH]c3cc2Cl)C(C)CN1Cc1ccc(F)cc1.CN(C)C(=O)C(=O)c1c[nH]c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.COc1cc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CC(C)N(C(C)c2ccccc2)CC1C.COc1cc2[nH]cc(C(=O)C(=O)N3CCNCC3)c2cc1C(=O)N1CC(C)N(Cc2ccc(F)cc2)CC1C.C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N3CCOCC3)c[nH]c2cc1Cl.

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

The InChIKey is ADZDZUAFEKAWIX-COXIINIHSA-N. The full InChI is InChI=1S/C29H34FN5O4.C28H30ClFN4O4.C28H34N4O4.C26H28ClFN4O3.C25H25ClFN3O3/c1-18-16-35(19(2)15-34(18)17-20-4-6-21(30)7-5-20)28(37)23-12-22-24(14-32-25(22)13-26(23)39-3)27(36)29(38)33-10-8-31-9-11-33;1-17-15-34(18(2)14-33(17)16-19-3-5-20(30)6-4-19)27(36)22-11-21-23(13-31-25(21)12-24(22)29)26(35)28(37)32-7-9-38-10-8-32;1-17-16-32(18(2)15-31(17)19(3)20-10-8-7-9-11-20)27(34)22-12-21-23(26(33)28(35)30(4)5)14-29-24(21)13-25(22)36-6;1-15-13-32(16(2)12-31(15)14-17-5-7-18(28)8-6-17)25(34)20-9-19-21(24(33)26(35)30(3)4)11-29-23(19)10-22(20)27;1-29(2)25(33)23(31)20-14-28-22-13-21(26)19(12-18(20)22)24(32)30-9-7-16(8-10-30)11-15-3-5-17(27)6-4-15/h4-7,12-14,18-19,31-32H,8-11,15-17H2,1-3H3;3-6,11-13,17-18,31H,7-10,14-16H2,1-2H3;7-14,17-19,29H,15-16H2,1-6H3;5-11,15-16,29H,12-14H2,1-4H3;3-6,12-14,16,28H,7-11H2,1-2H3/t;17-,18+;;;/m.0.../s1.

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

2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione has a molecular weight of 2536.18 g/mol, XLogP of 18.44, 27 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-3-yl]-2-morpholin-4-ylethane-1,2-dione;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[2,5-dimethyl-4-(1-phenylethyl)piperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione is sourced from PubChem (CID 157084936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).