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

C139H161F4N21O17 — CID 158753928

About 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-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-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-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 158753928) has the molecular formula C139H161F4N21O17 and a molecular weight of 2473.94 g/mol. Its IUPAC name is 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-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

• Compound Name: 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-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
• PubChem CID: 158753928
• Molecular Formula: C139H161F4N21O17
• Molecular Weight: 2473.94 g/mol
• Exact Mass: 2472.23
• IUPAC Name: 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-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
• SMILES: 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.Cc1cc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CC(C)N(Cc2ccc(F)cc2)CC1C.Cc1cc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.Cc1cc2[nH]cc(C(=O)C(=O)N3CCNCC3)c2cc1C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C
• InChI: InChI=1S/C29H34FN5O4.C29H34FN5O3.C28H34N4O4.C27H31FN4O3.C26H28FN3O3/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;1-18-12-26-24(25(14-32-26)27(36)29(38)33-10-8-31-9-11-33)13-23(18)28(37)35-16-19(2)34(15-20(35)3)17-21-4-6-22(30)7-5-21;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;1-16-10-24-22(23(12-29-24)25(33)27(35)30(4)5)11-21(16)26(34)32-14-17(2)31(13-18(32)3)15-19-6-8-20(28)9-7-19;1-16-12-23-21(22(15-28-23)24(31)26(33)29(2)3)14-20(16)25(32)30-10-8-18(9-11-30)13-17-4-6-19(27)7-5-17/h4-7,12-14,18-19,31-32H,8-11,15-17H2,1-3H3;4-7,12-14,19-20,31-32H,8-11,15-17H2,1-3H3;7-14,17-19,29H,15-16H2,1-6H3;6-12,17-18,29H,13-15H2,1-5H3;4-7,12,14-15,18,28H,8-11,13H2,1-3H3/t;19-,20+;;;/m.0.../s1
• InChIKey: INVBDHMPPPUKDX-FNNASDRRSA-N
• XLogP: 16.98
• TPSA: 422.88 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2473.94
LogP ≤ 5	16.98
H-Bond Donors ≤ 5	7
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-[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-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?

The IUPAC name of 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-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 158753928) is 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-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide.

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

The canonical SMILES for 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-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide is 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.Cc1cc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CC(C)N(Cc2ccc(F)cc2)CC1C.Cc1cc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1.Cc1cc2[nH]cc(C(=O)C(=O)N3CCNCC3)c2cc1C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C.

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

The InChIKey is INVBDHMPPPUKDX-FNNASDRRSA-N. The full InChI is InChI=1S/C29H34FN5O4.C29H34FN5O3.C28H34N4O4.C27H31FN4O3.C26H28FN3O3/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;1-18-12-26-24(25(14-32-26)27(36)29(38)33-10-8-31-9-11-33)13-23(18)28(37)35-16-19(2)34(15-20(35)3)17-21-4-6-22(30)7-5-21;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;1-16-10-24-22(23(12-29-24)25(33)27(35)30(4)5)11-21(16)26(34)32-14-17(2)31(13-18(32)3)15-19-6-8-20(28)9-7-19;1-16-12-23-21(22(15-28-23)24(31)26(33)29(2)3)14-20(16)25(32)30-10-8-18(9-11-30)13-17-4-6-19(27)7-5-17/h4-7,12-14,18-19,31-32H,8-11,15-17H2,1-3H3;4-7,12-14,19-20,31-32H,8-11,15-17H2,1-3H3;7-14,17-19,29H,15-16H2,1-6H3;6-12,17-18,29H,13-15H2,1-5H3;4-7,12,14-15,18,28H,8-11,13H2,1-3H3/t;19-,20+;;;/m.0.../s1.

What are the key properties of 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-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-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-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 2473.94 g/mol, XLogP of 16.98, 27 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 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-[5-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methyl-1H-indol-3-yl]-2-piperazin-1-ylethane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 158753928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).