2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[1-(dimethylsulfamoyl)-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylsulfonylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione

C145H166F5N17O28S2 — CID 157103095

IUPAC2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[1-(dimethylsulfamoyl)-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylsulfonylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
SMILESCOCn1cc(C(=O)C(=O)N(C)C)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(OC)cc21.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C(=O)OC(C)(C)C.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C(C)=O.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2S(=O)(=O)N(C)C.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N1CCN(C)CC1)cn2S(C)(=O)=O
InChIInChI=1S/C31H36FN3O6.C30H35FN4O6S.C28H33FN4O6S.C28H32FN3O5.C28H30FN3O5/c1-31(2,3)41-30(39)35-18-24(27(36)29(38)33(4)5)22-16-23(26(40-6)17-25(22)35)28(37)34-13-11-20(12-14-34)15-19-7-9-21(32)10-8-19;1-32-12-14-34(15-13-32)30(38)28(36)25-19-35(42(3,39)40)26-18-27(41-2)24(17-23(25)26)29(37)33-10-8-21(9-11-33)16-20-4-6-22(31)7-5-20;1-30(2)28(36)26(34)23-17-33(40(37,38)31(3)4)24-16-25(39-5)22(15-21(23)24)27(35)32-12-10-19(11-13-32)14-18-6-8-20(29)9-7-18;1-30(2)28(35)26(33)23-16-32(17-36-3)24-15-25(37-4)22(14-21(23)24)27(34)31-11-9-19(10-12-31)13-18-5-7-20(29)8-6-18;1-17(33)32-16-23(26(34)28(36)30(2)3)21-14-22(25(37-4)15-24(21)32)27(35)31-11-9-19(10-12-31)13-18-5-7-20(29)8-6-18/h7-10,16-18,20H,11-15H2,1-6H3;4-7,17-19,21H,8-16H2,1-3H3;6-9,15-17,19H,10-14H2,1-5H3;5-8,14-16,19H,9-13,17H2,1-4H3;5-8,14-16,19H,9-13H2,1-4H3
InChIKeyAFZKVPBZOZNYQU-UHFFFAOYSA-N
MW2754.14 g/mol
LogP17.97
Rot. Bonds35

About 2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[1-(dimethylsulfamoyl)-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylsulfonylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione

2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[1-(dimethylsulfamoyl)-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylsulfonylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione (PubChem CID 157103095) has the molecular formula C145H166F5N17O28S2 and a molecular weight of 2754.14 g/mol. Its IUPAC name is 2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[1-(dimethylsulfamoyl)-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylsulfonylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[1-(dimethylsulfamoyl)-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylsulfonylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
PubChem CID157103095
Molecular FormulaC145H166F5N17O28S2
Molecular Weight2754.14 g/mol
Exact Mass2752.14
IUPAC Name2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[1-(dimethylsulfamoyl)-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylsulfonylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
SMILESCOCn1cc(C(=O)C(=O)N(C)C)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(OC)cc21.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C(=O)OC(C)(C)C.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C(C)=O.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2S(=O)(=O)N(C)C.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N1CCN(C)CC1)cn2S(C)(=O)=O
InChIInChI=1S/C31H36FN3O6.C30H35FN4O6S.C28H33FN4O6S.C28H32FN3O5.C28H30FN3O5/c1-31(2,3)41-30(39)35-18-24(27(36)29(38)33(4)5)22-16-23(26(40-6)17-25(22)35)28(37)34-13-11-20(12-14-34)15-19-7-9-21(32)10-8-19;1-32-12-14-34(15-13-32)30(38)28(36)25-19-35(42(3,39)40)26-18-27(41-2)24(17-23(25)26)29(37)33-10-8-21(9-11-33)16-20-4-6-22(31)7-5-20;1-30(2)28(36)26(34)23-17-33(40(37,38)31(3)4)24-16-25(39-5)22(15-21(23)24)27(35)32-12-10-19(11-13-32)14-18-6-8-20(29)9-7-18;1-30(2)28(35)26(33)23-16-32(17-36-3)24-15-25(37-4)22(14-21(23)24)27(34)31-11-9-19(10-12-31)13-18-5-7-20(29)8-6-18;1-17(33)32-16-23(26(34)28(36)30(2)3)21-14-22(25(37-4)15-24(21)32)27(35)31-11-9-19(10-12-31)13-18-5-7-20(29)8-6-18/h7-10,16-18,20H,11-15H2,1-6H3;4-7,17-19,21H,8-16H2,1-3H3;6-9,15-17,19H,10-14H2,1-5H3;5-8,14-16,19H,9-13,17H2,1-4H3;5-8,14-16,19H,9-13H2,1-4H3
InChIKeyAFZKVPBZOZNYQU-UHFFFAOYSA-N
XLogP17.97
TPSA486.61 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds35
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002754.14
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[1-(dimethylsulfamoyl)-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylsulfonylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 10153209
Ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxylate
CID 10153210
Ethyl 5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-3-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxoacetyl]indole-1-carboxylate
CID 10153506
Tert-butyl 4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 10218805
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
CID 10240259
Ethyl 3-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate
CID 10240264
1-[5-[4-[(4-Fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylsulfonylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 10289985
tert-butyl (2S,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 58592897
tert-butyl (2R)-4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate
CID 58907974
tert-butyl (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 59015698
tert-butyl (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 59989970
tert-butyl (2S,5R)-4-[2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-2-oxoacetyl]-2,5-dimethylpiperazine-1-carboxylate
CID 69351508

Frequently Asked Questions

What is the IUPAC name of 2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[1-(dimethylsulfamoyl)-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylsulfonylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?
The IUPAC name of 2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[1-(dimethylsulfamoyl)-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylsulfonylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione (CID 157103095) is 2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[1-(dimethylsulfamoyl)-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylsulfonylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[1-(dimethylsulfamoyl)-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylsulfonylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?
The canonical SMILES for 2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[1-(dimethylsulfamoyl)-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylsulfonylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione is COCn1cc(C(=O)C(=O)N(C)C)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(OC)cc21.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C(=O)OC(C)(C)C.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2C(C)=O.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N(C)C)cn2S(=O)(=O)N(C)C.COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N1CCN(C)CC1)cn2S(C)(=O)=O.
What is the InChIKey of 2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[1-(dimethylsulfamoyl)-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylsulfonylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?
The InChIKey is AFZKVPBZOZNYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36FN3O6.C30H35FN4O6S.C28H33FN4O6S.C28H32FN3O5.C28H30FN3O5/c1-31(2,3)41-30(39)35-18-24(27(36)29(38)33(4)5)22-16-23(26(40-6)17-25(22)35)28(37)34-13-11-20(12-14-34)15-19-7-9-21(32)10-8-19;1-32-12-14-34(15-13-32)30(38)28(36)25-19-35(42(3,39)40)26-18-27(41-2)24(17-23(25)26)29(37)33-10-8-21(9-11-33)16-20-4-6-22(31)7-5-20;1-30(2)28(36)26(34)23-17-33(40(37,38)31(3)4)24-16-25(39-5)22(15-21(23)24)27(35)32-12-10-19(11-13-32)14-18-6-8-20(29)9-7-18;1-30(2)28(35)26(33)23-16-32(17-36-3)24-15-25(37-4)22(14-21(23)24)27(34)31-11-9-19(10-12-31)13-18-5-7-20(29)8-6-18;1-17(33)32-16-23(26(34)28(36)30(2)3)21-14-22(25(37-4)15-24(21)32)27(35)31-11-9-19(10-12-31)13-18-5-7-20(29)8-6-18/h7-10,16-18,20H,11-15H2,1-6H3;4-7,17-19,21H,8-16H2,1-3H3;6-9,15-17,19H,10-14H2,1-5H3;5-8,14-16,19H,9-13,17H2,1-4H3;5-8,14-16,19H,9-13H2,1-4H3.
What are the key properties of 2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[1-(dimethylsulfamoyl)-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylsulfonylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione?
2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[1-(dimethylsulfamoyl)-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylsulfonylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione has a molecular weight of 2754.14 g/mol, XLogP of 17.97, 35 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-acetyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;tert-butyl 3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindole-1-carboxylate;2-[1-(dimethylsulfamoyl)-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxyindol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-(methoxymethyl)indol-3-yl]-N,N-dimethyl-2-oxoacetamide;1-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylsulfonylindol-3-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 157103095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).