tert-butyl 4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]ethane-1,2-dione;ethyl 6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxylate;ethyl (2R,5S)-4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate

C161H188Cl2F5N19O25 — CID 157145731

About tert-butyl 4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]ethane-1,2-dione;ethyl 6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxylate;ethyl (2R,5S)-4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate

tert-butyl 4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]ethane-1,2-dione;ethyl 6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxylate;ethyl (2R,5S)-4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate (PubChem CID 157145731) has the molecular formula C161H188Cl2F5N19O25 and a molecular weight of 2955.28 g/mol. Its IUPAC name is tert-butyl 4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]ethane-1,2-dione;ethyl 6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxylate;ethyl (2R,5S)-4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]ethane-1,2-dione;ethyl 6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxylate;ethyl (2R,5S)-4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate
• PubChem CID: 157145731
• Molecular Formula: C161H188Cl2F5N19O25
• Molecular Weight: 2955.28 g/mol
• Exact Mass: 2952.33
• IUPAC Name: tert-butyl 4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]ethane-1,2-dione;ethyl 6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxylate;ethyl (2R,5S)-4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate
• SMILES: CCOC(=O)N1C[C@H](C)N(C(=O)C(=O)c2cn(C)c3cc(OC)c(C(=O)N4CCC(Cc5ccc(F)cc5)CC4)cc23)C[C@H]1C.CCOC(=O)n1cc(C(=O)C(=O)N2CCN(C)CC2)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(Cl)cc21.CN1CCN(C(=O)C(=O)c2cn(C)c3cc(Cl)c(C(=O)N4CCC(Cc5ccc(F)cc5)CC4)cc23)CC1.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N1CC(C)N(C(=O)OC(C)(C)C)CC1C)cn2C.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N1C[C@@H](C)OC[C@@H]1C)cn2C
• InChI: InChI=1S/C36H45FN4O6.C34H41FN4O6.C31H34ClFN4O5.C31H36FN3O5.C29H32ClFN4O3/c1-22-20-41(35(45)47-36(3,4)5)23(2)19-40(22)34(44)32(42)29-21-38(6)30-18-31(46-7)28(17-27(29)30)33(43)39-14-12-25(13-15-39)16-24-8-10-26(37)11-9-24;1-6-45-34(43)39-19-21(2)38(18-22(39)3)33(42)31(40)28-20-36(4)29-17-30(44-5)27(16-26(28)29)32(41)37-13-11-24(12-14-37)15-23-7-9-25(35)10-8-23;1-3-42-31(41)37-19-25(28(38)30(40)36-14-12-34(2)13-15-36)23-17-24(26(32)18-27(23)37)29(39)35-10-8-21(9-11-35)16-20-4-6-22(33)7-5-20;1-19-18-40-20(2)16-35(19)31(38)29(36)26-17-33(3)27-15-28(39-4)25(14-24(26)27)30(37)34-11-9-22(10-12-34)13-21-5-7-23(32)8-6-21;1-32-11-13-35(14-12-32)29(38)27(36)24-18-33(2)26-17-25(30)23(16-22(24)26)28(37)34-9-7-20(8-10-34)15-19-3-5-21(31)6-4-19/h8-11,17-18,21-23,25H,12-16,19-20H2,1-7H3;7-10,16-17,20-22,24H,6,11-15,18-19H2,1-5H3;4-7,17-19,21H,3,8-16H2,1-2H3;5-8,14-15,17,19-20,22H,9-13,16,18H2,1-4H3;3-6,16-18,20H,7-15H2,1-2H3/t;21-,22+;;19-,20+;/m.0.0./s1
• InChIKey: AKRIUPFTJADLNZ-SQMHBLRASA-N
• XLogP: 22.89
• TPSA: 441.88 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2955.28
LogP ≤ 5	22.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]ethane-1,2-dione;ethyl 6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxylate;ethyl (2R,5S)-4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate?

The IUPAC name of tert-butyl 4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]ethane-1,2-dione;ethyl 6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxylate;ethyl (2R,5S)-4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate (CID 157145731) is tert-butyl 4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]ethane-1,2-dione;ethyl 6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxylate;ethyl (2R,5S)-4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]ethane-1,2-dione;ethyl 6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxylate;ethyl (2R,5S)-4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]ethane-1,2-dione;ethyl 6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxylate;ethyl (2R,5S)-4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate is CCOC(=O)N1C[C@H](C)N(C(=O)C(=O)c2cn(C)c3cc(OC)c(C(=O)N4CCC(Cc5ccc(F)cc5)CC4)cc23)C[C@H]1C.CCOC(=O)n1cc(C(=O)C(=O)N2CCN(C)CC2)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(Cl)cc21.CN1CCN(C(=O)C(=O)c2cn(C)c3cc(Cl)c(C(=O)N4CCC(Cc5ccc(F)cc5)CC4)cc23)CC1.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N1CC(C)N(C(=O)OC(C)(C)C)CC1C)cn2C.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N1C[C@@H](C)OC[C@@H]1C)cn2C.

What is the InChIKey of tert-butyl 4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]ethane-1,2-dione;ethyl 6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxylate;ethyl (2R,5S)-4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate?

The InChIKey is AKRIUPFTJADLNZ-SQMHBLRASA-N. The full InChI is InChI=1S/C36H45FN4O6.C34H41FN4O6.C31H34ClFN4O5.C31H36FN3O5.C29H32ClFN4O3/c1-22-20-41(35(45)47-36(3,4)5)23(2)19-40(22)34(44)32(42)29-21-38(6)30-18-31(46-7)28(17-27(29)30)33(43)39-14-12-25(13-15-39)16-24-8-10-26(37)11-9-24;1-6-45-34(43)39-19-21(2)38(18-22(39)3)33(42)31(40)28-20-36(4)29-17-30(44-5)27(16-26(28)29)32(41)37-13-11-24(12-14-37)15-23-7-9-25(35)10-8-23;1-3-42-31(41)37-19-25(28(38)30(40)36-14-12-34(2)13-15-36)23-17-24(26(32)18-27(23)37)29(39)35-10-8-21(9-11-35)16-20-4-6-22(33)7-5-20;1-19-18-40-20(2)16-35(19)31(38)29(36)26-17-33(3)27-15-28(39-4)25(14-24(26)27)30(37)34-11-9-22(10-12-34)13-21-5-7-23(32)8-6-21;1-32-11-13-35(14-12-32)29(38)27(36)24-18-33(2)26-17-25(30)23(16-22(24)26)28(37)34-9-7-20(8-10-34)15-19-3-5-21(31)6-4-19/h8-11,17-18,21-23,25H,12-16,19-20H2,1-7H3;7-10,16-17,20-22,24H,6,11-15,18-19H2,1-5H3;4-7,17-19,21H,3,8-16H2,1-2H3;5-8,14-15,17,19-20,22H,9-13,16,18H2,1-4H3;3-6,16-18,20H,7-15H2,1-2H3/t;21-,22+;;19-,20+;/m.0.0./s1.

What are the key properties of tert-butyl 4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]ethane-1,2-dione;ethyl 6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxylate;ethyl (2R,5S)-4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate?

tert-butyl 4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]ethane-1,2-dione;ethyl 6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxylate;ethyl (2R,5S)-4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate has a molecular weight of 2955.28 g/mol, XLogP of 22.89, 30 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate;1-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]ethane-1,2-dione;ethyl 6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxylate;ethyl (2R,5S)-4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 157145731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).