tert-butyl 6-chloro-3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indole-1-carboxylate;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylsulfonylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide

C142H155Cl3F5N17O24S — CID 158121549

About tert-butyl 6-chloro-3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indole-1-carboxylate;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylsulfonylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide

tert-butyl 6-chloro-3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indole-1-carboxylate;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylsulfonylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 158121549) has the molecular formula C142H155Cl3F5N17O24S and a molecular weight of 2717.31 g/mol. Its IUPAC name is tert-butyl 6-chloro-3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indole-1-carboxylate;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylsulfonylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

• Compound Name: tert-butyl 6-chloro-3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indole-1-carboxylate;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylsulfonylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide
• PubChem CID: 158121549
• Molecular Formula: C142H155Cl3F5N17O24S
• Molecular Weight: 2717.31 g/mol
• Exact Mass: 2714.01
• IUPAC Name: tert-butyl 6-chloro-3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indole-1-carboxylate;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylsulfonylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide
• SMILES: CN(C)C(=O)C(=O)c1cn(C(=O)OC(C)(C)C)c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.CN(C)C(=O)C(=O)c1cn(S(C)(=O)=O)c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.COCn1cc(C(=O)C(=O)N(C)C)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(Cl)cc21.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C#N.COc1cc2c(cc1C(=O)N1C[C@H](C)N(Cc3ccc(F)cc3)C[C@H]1C)c(C(=O)C(=O)N(C)C)cn2C(=O)OC(C)(C)C
• InChI: InChI=1S/C32H39FN4O6.C30H33ClFN3O5.C27H29ClFN3O4.C27H27FN4O4.C26H27ClFN3O5S/c1-19-16-36(20(2)15-35(19)17-21-9-11-22(33)12-10-21)29(39)24-13-23-25(28(38)30(40)34(6)7)18-37(26(23)14-27(24)42-8)31(41)43-32(3,4)5;1-30(2,3)40-29(39)35-17-23(26(36)28(38)33(4)5)21-15-22(24(31)16-25(21)35)27(37)34-12-10-19(11-13-34)14-18-6-8-20(32)9-7-18;1-30(2)27(35)25(33)22-15-32(16-36-3)24-14-23(28)21(13-20(22)24)26(34)31-10-8-18(9-11-31)12-17-4-6-19(29)7-5-17;1-30(2)27(35)25(33)22-15-32(16-29)23-14-24(36-3)21(13-20(22)23)26(34)31-10-8-18(9-11-31)12-17-4-6-19(28)7-5-17;1-29(2)26(34)24(32)21-15-31(37(3,35)36)23-14-22(27)20(13-19(21)23)25(33)30-10-8-17(9-11-30)12-16-4-6-18(28)7-5-16/h9-14,18-20H,15-17H2,1-8H3;6-9,15-17,19H,10-14H2,1-5H3;4-7,13-15,18H,8-12,16H2,1-3H3;4-7,13-15,18H,8-12H2,1-3H3;4-7,13-15,17H,8-12H2,1-3H3/t19-,20+;;;;/m0..../s1
• InChIKey: FRQXFPBSHCOOQW-LBZJOYSQSA-N
• XLogP: 21.66
• TPSA: 454.56 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 30
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2717.31
LogP ≤ 5	21.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-chloro-3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indole-1-carboxylate;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylsulfonylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide?

The IUPAC name of tert-butyl 6-chloro-3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indole-1-carboxylate;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylsulfonylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 158121549) is tert-butyl 6-chloro-3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indole-1-carboxylate;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylsulfonylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide.

What is the SMILES notation for tert-butyl 6-chloro-3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indole-1-carboxylate;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylsulfonylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide?

The canonical SMILES for tert-butyl 6-chloro-3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indole-1-carboxylate;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylsulfonylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide is CN(C)C(=O)C(=O)c1cn(C(=O)OC(C)(C)C)c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.CN(C)C(=O)C(=O)c1cn(S(C)(=O)=O)c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.COCn1cc(C(=O)C(=O)N(C)C)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(Cl)cc21.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C#N.COc1cc2c(cc1C(=O)N1C[C@H](C)N(Cc3ccc(F)cc3)C[C@H]1C)c(C(=O)C(=O)N(C)C)cn2C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl 6-chloro-3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indole-1-carboxylate;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylsulfonylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide?

The InChIKey is FRQXFPBSHCOOQW-LBZJOYSQSA-N. The full InChI is InChI=1S/C32H39FN4O6.C30H33ClFN3O5.C27H29ClFN3O4.C27H27FN4O4.C26H27ClFN3O5S/c1-19-16-36(20(2)15-35(19)17-21-9-11-22(33)12-10-21)29(39)24-13-23-25(28(38)30(40)34(6)7)18-37(26(23)14-27(24)42-8)31(41)43-32(3,4)5;1-30(2,3)40-29(39)35-17-23(26(36)28(38)33(4)5)21-15-22(24(31)16-25(21)35)27(37)34-12-10-19(11-13-34)14-18-6-8-20(32)9-7-18;1-30(2)27(35)25(33)22-15-32(16-36-3)24-14-23(28)21(13-20(22)24)26(34)31-10-8-18(9-11-31)12-17-4-6-19(29)7-5-17;1-30(2)27(35)25(33)22-15-32(16-29)23-14-24(36-3)21(13-20(22)23)26(34)31-10-8-18(9-11-31)12-17-4-6-19(28)7-5-17;1-29(2)26(34)24(32)21-15-31(37(3,35)36)23-14-22(27)20(13-19(21)23)25(33)30-10-8-17(9-11-30)12-16-4-6-18(28)7-5-16/h9-14,18-20H,15-17H2,1-8H3;6-9,15-17,19H,10-14H2,1-5H3;4-7,13-15,18H,8-12,16H2,1-3H3;4-7,13-15,18H,8-12H2,1-3H3;4-7,13-15,17H,8-12H2,1-3H3/t19-,20+;;;;/m0..../s1.

What are the key properties of tert-butyl 6-chloro-3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indole-1-carboxylate;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylsulfonylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide?

tert-butyl 6-chloro-3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indole-1-carboxylate;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylsulfonylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 2717.31 g/mol, XLogP of 21.66, 30 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 6-chloro-3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indole-1-carboxylate;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylsulfonylindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 158121549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).