2-[5-[4-(4-fluoro-N-methylanilino)piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide

C83H96F3N11O11 — CID 158301197

About 2-[5-[4-(4-fluoro-N-methylanilino)piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide

2-[5-[4-(4-fluoro-N-methylanilino)piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 158301197) has the molecular formula C83H96F3N11O11 and a molecular weight of 1480.74 g/mol. Its IUPAC name is 2-[5-[4-(4-fluoro-N-methylanilino)piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[5-[4-(4-fluoro-N-methylanilino)piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
• PubChem CID: 158301197
• Molecular Formula: C83H96F3N11O11
• Molecular Weight: 1480.74 g/mol
• Exact Mass: 1479.72
• IUPAC Name: 2-[5-[4-(4-fluoro-N-methylanilino)piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
• SMILES: COc1cc2[nH]c(C)c(C(=O)C(=O)N(C)C)c2cc1C(=O)N1C[C@H](C)N(C(C)c2ccc(F)cc2)C[C@H]1C.COc1cc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCC(C)(Cc2ccc(F)cc2)CC1.Cc1cc2c(cc1C(=O)N1CCC(N(C)c3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C
• InChI: InChI=1S/C29H35FN4O4.C27H31FN4O3.C27H30FN3O4/c1-16-15-34(17(2)14-33(16)19(4)20-8-10-21(30)11-9-20)28(36)23-12-22-24(13-25(23)38-7)31-18(3)26(22)27(35)29(37)32(5)6;1-17-14-24-22(23(16-30(24)4)25(33)27(35)29(2)3)15-21(17)26(34)32-12-10-20(11-13-32)31(5)19-8-6-18(28)7-9-19;1-27(15-17-5-7-18(28)8-6-17)9-11-31(12-10-27)25(33)20-13-19-21(24(32)26(34)30(2)3)16-29-22(19)14-23(20)35-4/h8-13,16-17,19,31H,14-15H2,1-7H3;6-9,14-16,20H,10-13H2,1-5H3;5-8,13-14,16,29H,9-12,15H2,1-4H3/t16-,17+,19?;;/m0../s1
• InChIKey: GMNATYQIUHQSEF-KOOAXPADSA-N
• XLogP: 11.90
• TPSA: 234.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1480.74
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[5-[4-(4-fluoro-N-methylanilino)piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 158301197) is 2-[5-[4-(4-fluoro-N-methylanilino)piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide.

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

The canonical SMILES for 2-[5-[4-(4-fluoro-N-methylanilino)piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide is COc1cc2[nH]c(C)c(C(=O)C(=O)N(C)C)c2cc1C(=O)N1C[C@H](C)N(C(C)c2ccc(F)cc2)C[C@H]1C.COc1cc2[nH]cc(C(=O)C(=O)N(C)C)c2cc1C(=O)N1CCC(C)(Cc2ccc(F)cc2)CC1.Cc1cc2c(cc1C(=O)N1CCC(N(C)c3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C.

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

The InChIKey is GMNATYQIUHQSEF-KOOAXPADSA-N. The full InChI is InChI=1S/C29H35FN4O4.C27H31FN4O3.C27H30FN3O4/c1-16-15-34(17(2)14-33(16)19(4)20-8-10-21(30)11-9-20)28(36)23-12-22-24(13-25(23)38-7)31-18(3)26(22)27(35)29(37)32(5)6;1-17-14-24-22(23(16-30(24)4)25(33)27(35)29(2)3)15-21(17)26(34)32-12-10-20(11-13-32)31(5)19-8-6-18(28)7-9-19;1-27(15-17-5-7-18(28)8-6-17)9-11-31(12-10-27)25(33)20-13-19-21(24(32)26(34)30(2)3)16-29-22(19)14-23(20)35-4/h8-13,16-17,19,31H,14-15H2,1-7H3;6-9,14-16,20H,10-13H2,1-5H3;5-8,13-14,16,29H,9-12,15H2,1-4H3/t16-,17+,19?;;/m0../s1.

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

2-[5-[4-(4-fluoro-N-methylanilino)piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 1480.74 g/mol, XLogP of 11.90, 17 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[4-(4-fluoro-N-methylanilino)piperidine-1-carbonyl]-1,6-dimethylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[(2R,5S)-4-[1-(4-fluorophenyl)ethyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]-4-methylpiperidine-1-carbonyl]-6-methoxy-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 158301197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).