2-[1-acetyl-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1,6-dimethylindol-3-yl]propane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;methyl 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate;methyl 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate

C140H158F5N15O22 — CID 158455359

About 2-[1-acetyl-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1,6-dimethylindol-3-yl]propane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;methyl 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate;methyl 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate

2-[1-acetyl-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1,6-dimethylindol-3-yl]propane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;methyl 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate;methyl 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate (PubChem CID 158455359) has the molecular formula C140H158F5N15O22 and a molecular weight of 2497.88 g/mol. Its IUPAC name is 2-[1-acetyl-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1,6-dimethylindol-3-yl]propane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;methyl 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate;methyl 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate.

Molecular Properties

• Compound Name: 2-[1-acetyl-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1,6-dimethylindol-3-yl]propane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;methyl 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate;methyl 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate
• PubChem CID: 158455359
• Molecular Formula: C140H158F5N15O22
• Molecular Weight: 2497.88 g/mol
• Exact Mass: 2496.16
• IUPAC Name: 2-[1-acetyl-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1,6-dimethylindol-3-yl]propane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;methyl 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate;methyl 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate
• SMILES: CC(=O)C(=O)c1cn(C)c2cc(C)c(C(=O)N3C[C@H](C)N(Cc4ccc(F)cc4)C[C@H]3C)cc12.COCn1cc(C(=O)C(=O)N(C)C)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(C)cc21.COCn1cc(C(=O)C(=O)OC)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(C)cc21.COCn1cc(C(=O)C(=O)OC)c2cc(C(=O)N3C[C@H](C)N(Cc4ccc(F)cc4)C[C@H]3C)c(C)cc21.COc1cc2c(cc1C(=O)N1C[C@H](C)N(Cc3ccc(F)cc3)C[C@H]1C)c(C(=O)C(=O)N(C)C)c(C)n2C(C)=O
• InChI: InChI=1S/C30H35FN4O5.C28H32FN3O5.C28H32FN3O4.C27H30FN3O3.C27H29FN2O5/c1-17-15-34(18(2)14-33(17)16-21-8-10-22(31)11-9-21)29(38)24-12-23-25(13-26(24)40-7)35(20(4)36)19(3)27(23)28(37)30(39)32(5)6;1-17-10-25-23(24(15-31(25)16-36-4)26(33)28(35)37-5)11-22(17)27(34)32-13-18(2)30(12-19(32)3)14-20-6-8-21(29)9-7-20;1-18-13-25-23(24(16-32(25)17-36-4)26(33)28(35)30(2)3)15-22(18)27(34)31-11-9-20(10-12-31)14-19-5-7-21(29)8-6-19;1-16-10-25-23(24(15-29(25)5)26(33)19(4)32)11-22(16)27(34)31-13-17(2)30(12-18(31)3)14-20-6-8-21(28)9-7-20;1-17-12-24-22(23(15-30(24)16-34-2)25(31)27(33)35-3)14-21(17)26(32)29-10-8-19(9-11-29)13-18-4-6-20(28)7-5-18/h8-13,17-18H,14-16H2,1-7H3;6-11,15,18-19H,12-14,16H2,1-5H3;5-8,13,15-16,20H,9-12,14,17H2,1-4H3;6-11,15,17-18H,12-14H2,1-5H3;4-7,12,14-15,19H,8-11,13,16H2,1-3H3/t17-,18+;18-,19+;;17-,18+;/m00.0./s1
• InChIKey: HEMQDXBFFVEQPO-DQIZVJTISA-N
• XLogP: 19.88
• TPSA: 385.55 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 32
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2497.88
LogP ≤ 5	19.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-acetyl-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1,6-dimethylindol-3-yl]propane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;methyl 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate;methyl 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate?

The IUPAC name of 2-[1-acetyl-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1,6-dimethylindol-3-yl]propane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;methyl 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate;methyl 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate (CID 158455359) is 2-[1-acetyl-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1,6-dimethylindol-3-yl]propane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;methyl 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate;methyl 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate.

What is the SMILES notation for 2-[1-acetyl-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1,6-dimethylindol-3-yl]propane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;methyl 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate;methyl 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate?

The canonical SMILES for 2-[1-acetyl-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1,6-dimethylindol-3-yl]propane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;methyl 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate;methyl 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate is CC(=O)C(=O)c1cn(C)c2cc(C)c(C(=O)N3C[C@H](C)N(Cc4ccc(F)cc4)C[C@H]3C)cc12.COCn1cc(C(=O)C(=O)N(C)C)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(C)cc21.COCn1cc(C(=O)C(=O)OC)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(C)cc21.COCn1cc(C(=O)C(=O)OC)c2cc(C(=O)N3C[C@H](C)N(Cc4ccc(F)cc4)C[C@H]3C)c(C)cc21.COc1cc2c(cc1C(=O)N1C[C@H](C)N(Cc3ccc(F)cc3)C[C@H]1C)c(C(=O)C(=O)N(C)C)c(C)n2C(C)=O.

What is the InChIKey of 2-[1-acetyl-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1,6-dimethylindol-3-yl]propane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;methyl 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate;methyl 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate?

The InChIKey is HEMQDXBFFVEQPO-DQIZVJTISA-N. The full InChI is InChI=1S/C30H35FN4O5.C28H32FN3O5.C28H32FN3O4.C27H30FN3O3.C27H29FN2O5/c1-17-15-34(18(2)14-33(17)16-21-8-10-22(31)11-9-21)29(38)24-12-23-25(13-26(24)40-7)35(20(4)36)19(3)27(23)28(37)30(39)32(5)6;1-17-10-25-23(24(15-31(25)16-36-4)26(33)28(35)37-5)11-22(17)27(34)32-13-18(2)30(12-19(32)3)14-20-6-8-21(29)9-7-20;1-18-13-25-23(24(16-32(25)17-36-4)26(33)28(35)30(2)3)15-22(18)27(34)31-11-9-20(10-12-31)14-19-5-7-21(29)8-6-19;1-16-10-25-23(24(15-29(25)5)26(33)19(4)32)11-22(16)27(34)31-13-17(2)30(12-18(31)3)14-20-6-8-21(28)9-7-20;1-17-12-24-22(23(15-30(24)16-34-2)25(31)27(33)35-3)14-21(17)26(32)29-10-8-19(9-11-29)13-18-4-6-20(28)7-5-18/h8-13,17-18H,14-16H2,1-7H3;6-11,15,18-19H,12-14,16H2,1-5H3;5-8,13,15-16,20H,9-12,14,17H2,1-4H3;6-11,15,17-18H,12-14H2,1-5H3;4-7,12,14-15,19H,8-11,13,16H2,1-3H3/t17-,18+;18-,19+;;17-,18+;/m00.0./s1.

What are the key properties of 2-[1-acetyl-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1,6-dimethylindol-3-yl]propane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;methyl 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate;methyl 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate?

2-[1-acetyl-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1,6-dimethylindol-3-yl]propane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;methyl 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate;methyl 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate has a molecular weight of 2497.88 g/mol, XLogP of 19.88, 32 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-acetyl-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-2-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1,6-dimethylindol-3-yl]propane-1,2-dione;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;methyl 2-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate;methyl 2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)-6-methylindol-3-yl]-2-oxoacetate is sourced from PubChem (CID 158455359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).