N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;1-benzyl-3-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]urea;4,4-dimethyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-6-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;4-methyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide

C281H406F4N42O32S — CID 162292438

About N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;1-benzyl-3-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]urea;4,4-dimethyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-6-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;4-methyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide

N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;1-benzyl-3-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]urea;4,4-dimethyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-6-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;4-methyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide (PubChem CID 162292438) has the molecular formula C281H406F4N42O32S and a molecular weight of 4992.66 g/mol. Its IUPAC name is N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;1-benzyl-3-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]urea;4,4-dimethyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-6-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;4-methyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide.

Molecular Properties

• Compound Name: N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;1-benzyl-3-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]urea;4,4-dimethyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-6-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;4-methyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide
• PubChem CID: 162292438
• Molecular Formula: C281H406F4N42O32S
• Molecular Weight: 4992.66 g/mol
• Exact Mass: 4989.11
• IUPAC Name: N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;1-benzyl-3-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]urea;4,4-dimethyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-6-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;4-methyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide
• SMILES: CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CCC(C)(C)C)C(=O)C[C@@H](C)c1nc2c(F)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CCC(C)(C)C)C(=O)C[C@@H](C)c1nc2ccccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CCC(C)C)C(=O)C[C@@H](C)c1nc2c(C)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CCC(C)C)C(=O)C[C@@H](C)c1nc2c(F)cc(C)cc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)NCc1ccccc1)C(=O)C[C@@H](C)c1nc2c(F)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)c1cc(C)on1)C(=O)C[C@@H](C)c1nc2c(C)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NS(=O)(=O)CCC(C)C)C(=O)C[C@@H](C)c1nc2c(C)cccc2[nH]1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCCC3C(C)C)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1cccc2[nH]c([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)CCC(C)(C)C)nc12.Cc1cccc2[nH]c([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)CCC(C)C)nc12
• InChI: InChI=1S/C31H45FN4O3.C29H36FN5O3.2C28H41FN4O3.3C28H42N4O3.C27H35N5O4.C27H42N4O4S.C27H40N4O3/c1-19(2)10-13-29(38)34-25(17-30(39)36-14-8-7-9-27(36)20(3)4)28(37)16-22(6)31-33-18-26(35-31)23-12-11-21(5)15-24(23)32;1-3-21-12-7-8-15-35(21)26(37)17-24(33-29(38)31-18-20-10-5-4-6-11-20)25(36)16-19(2)28-32-23-14-9-13-22(30)27(23)34-28;1-6-19-10-7-8-15-33(19)25(36)17-22(30-24(35)13-14-28(3,4)5)23(34)16-18(2)27-31-21-12-9-11-20(29)26(21)32-27;1-6-20-9-7-8-12-33(20)26(36)16-22(30-25(35)11-10-17(2)3)24(34)15-19(5)28-31-23-14-18(4)13-21(29)27(23)32-28;1-18-10-9-12-21-26(18)31-27(30-21)19(2)16-23(33)22(29-24(34)13-14-28(4,5)6)17-25(35)32-15-8-7-11-20(32)3;1-6-20-11-9-10-16-32(20)26(35)18-23(29-25(34)14-15-28(3,4)5)24(33)17-19(2)27-30-21-12-7-8-13-22(21)31-27;1-6-21-11-7-8-15-32(21)26(35)17-23(29-25(34)14-13-18(2)3)24(33)16-20(5)28-30-22-12-9-10-19(4)27(22)31-28;1-5-19-10-6-7-12-32(19)24(34)15-21(29-27(35)22-14-18(4)36-31-22)23(33)13-17(3)26-28-20-11-8-9-16(2)25(20)30-26;1-6-21-11-7-8-14-31(21)25(33)17-23(30-36(34,35)15-13-18(2)3)24(32)16-20(5)27-28-22-12-9-10-19(4)26(22)29-27;1-17(2)12-13-24(33)28-22(16-25(34)31-14-7-6-10-20(31)5)23(32)15-19(4)27-29-21-11-8-9-18(3)26(21)30-27/h11-12,15,18-20,22,25,27H,7-10,13-14,16-17H2,1-6H3,(H,33,35)(H,34,38);4-6,9-11,13-14,19,21,24H,3,7-8,12,15-18H2,1-2H3,(H,32,34)(H2,31,33,38);9,11-12,18-19,22H,6-8,10,13-17H2,1-5H3,(H,30,35)(H,31,32);13-14,17,19-20,22H,6-12,15-16H2,1-5H3,(H,30,35)(H,31,32);9-10,12,19-20,22H,7-8,11,13-17H2,1-6H3,(H,29,34)(H,30,31);7-8,12-13,19-20,23H,6,9-11,14-18H2,1-5H3,(H,29,34)(H,30,31);9-10,12,18,20-21,23H,6-8,11,13-17H2,1-5H3,(H,29,34)(H,30,31);8-9,11,14,17,19,21H,5-7,10,12-13,15H2,1-4H3,(H,28,30)(H,29,35);9-10,12,18,20-21,23,30H,6-8,11,13-17H2,1-5H3,(H,28,29);8-9,11,17,19-20,22H,6-7,10,12-16H2,1-5H3,(H,28,33)(H,29,30)/t22-,25+,27?;19-,21+,24+;18-,19+,22+;2*19-,20+,22+;19-,20+,23+;20-,21+,23+;17-,19+,21+;20-,21+,23+;19-,20+,22+/m1111111111/s1
• InChIKey: LQSMJPKRQCZZQN-VPZDVSTPSA-N
• XLogP: 49.68
• TPSA: 1006.73 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 43
• Rotatable Bonds: 104
• Heavy Atoms: 360
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4992.66
LogP ≤ 5	49.68
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;1-benzyl-3-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]urea;4,4-dimethyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-6-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;4-methyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide?

The IUPAC name of N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;1-benzyl-3-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]urea;4,4-dimethyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-6-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;4-methyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide (CID 162292438) is N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;1-benzyl-3-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]urea;4,4-dimethyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-6-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;4-methyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide.

What is the SMILES notation for N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;1-benzyl-3-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]urea;4,4-dimethyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-6-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;4-methyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide?

The canonical SMILES for N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;1-benzyl-3-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]urea;4,4-dimethyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-6-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;4-methyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide is CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CCC(C)(C)C)C(=O)C[C@@H](C)c1nc2c(F)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CCC(C)(C)C)C(=O)C[C@@H](C)c1nc2ccccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CCC(C)C)C(=O)C[C@@H](C)c1nc2c(C)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)CCC(C)C)C(=O)C[C@@H](C)c1nc2c(F)cc(C)cc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)NCc1ccccc1)C(=O)C[C@@H](C)c1nc2c(F)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)c1cc(C)on1)C(=O)C[C@@H](C)c1nc2c(C)cccc2[nH]1.CC[C@H]1CCCCN1C(=O)C[C@H](NS(=O)(=O)CCC(C)C)C(=O)C[C@@H](C)c1nc2c(C)cccc2[nH]1.Cc1ccc(-c2cnc([C@H](C)CC(=O)[C@H](CC(=O)N3CCCCC3C(C)C)NC(=O)CCC(C)C)[nH]2)c(F)c1.Cc1cccc2[nH]c([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)CCC(C)(C)C)nc12.Cc1cccc2[nH]c([C@H](C)CC(=O)[C@H](CC(=O)N3CCCC[C@@H]3C)NC(=O)CCC(C)C)nc12.

What is the InChIKey of N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;1-benzyl-3-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]urea;4,4-dimethyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-6-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;4-methyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide?

The InChIKey is LQSMJPKRQCZZQN-VPZDVSTPSA-N. The full InChI is InChI=1S/C31H45FN4O3.C29H36FN5O3.2C28H41FN4O3.3C28H42N4O3.C27H35N5O4.C27H42N4O4S.C27H40N4O3/c1-19(2)10-13-29(38)34-25(17-30(39)36-14-8-7-9-27(36)20(3)4)28(37)16-22(6)31-33-18-26(35-31)23-12-11-21(5)15-24(23)32;1-3-21-12-7-8-15-35(21)26(37)17-24(33-29(38)31-18-20-10-5-4-6-11-20)25(36)16-19(2)28-32-23-14-9-13-22(30)27(23)34-28;1-6-19-10-7-8-15-33(19)25(36)17-22(30-24(35)13-14-28(3,4)5)23(34)16-18(2)27-31-21-12-9-11-20(29)26(21)32-27;1-6-20-9-7-8-12-33(20)26(36)16-22(30-25(35)11-10-17(2)3)24(34)15-19(5)28-31-23-14-18(4)13-21(29)27(23)32-28;1-18-10-9-12-21-26(18)31-27(30-21)19(2)16-23(33)22(29-24(34)13-14-28(4,5)6)17-25(35)32-15-8-7-11-20(32)3;1-6-20-11-9-10-16-32(20)26(35)18-23(29-25(34)14-15-28(3,4)5)24(33)17-19(2)27-30-21-12-7-8-13-22(21)31-27;1-6-21-11-7-8-15-32(21)26(35)17-23(29-25(34)14-13-18(2)3)24(33)16-20(5)28-30-22-12-9-10-19(4)27(22)31-28;1-5-19-10-6-7-12-32(19)24(34)15-21(29-27(35)22-14-18(4)36-31-22)23(33)13-17(3)26-28-20-11-8-9-16(2)25(20)30-26;1-6-21-11-7-8-14-31(21)25(33)17-23(30-36(34,35)15-13-18(2)3)24(32)16-20(5)27-28-22-12-9-10-19(4)26(22)29-27;1-17(2)12-13-24(33)28-22(16-25(34)31-14-7-6-10-20(31)5)23(32)15-19(4)27-29-21-11-8-9-18(3)26(21)30-27/h11-12,15,18-20,22,25,27H,7-10,13-14,16-17H2,1-6H3,(H,33,35)(H,34,38);4-6,9-11,13-14,19,21,24H,3,7-8,12,15-18H2,1-2H3,(H,32,34)(H2,31,33,38);9,11-12,18-19,22H,6-8,10,13-17H2,1-5H3,(H,30,35)(H,31,32);13-14,17,19-20,22H,6-12,15-16H2,1-5H3,(H,30,35)(H,31,32);9-10,12,19-20,22H,7-8,11,13-17H2,1-6H3,(H,29,34)(H,30,31);7-8,12-13,19-20,23H,6,9-11,14-18H2,1-5H3,(H,29,34)(H,30,31);9-10,12,18,20-21,23H,6-8,11,13-17H2,1-5H3,(H,29,34)(H,30,31);8-9,11,14,17,19,21H,5-7,10,12-13,15H2,1-4H3,(H,28,30)(H,29,35);9-10,12,18,20-21,23,30H,6-8,11,13-17H2,1-5H3,(H,28,29);8-9,11,17,19-20,22H,6-7,10,12-16H2,1-5H3,(H,28,33)(H,29,30)/t22-,25+,27?;19-,21+,24+;18-,19+,22+;2*19-,20+,22+;19-,20+,23+;20-,21+,23+;17-,19+,21+;20-,21+,23+;19-,20+,22+/m1111111111/s1.

What are the key properties of N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;1-benzyl-3-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]urea;4,4-dimethyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-6-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;4-methyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide?

N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;1-benzyl-3-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]urea;4,4-dimethyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-6-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;4-methyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide has a molecular weight of 4992.66 g/mol, XLogP of 49.68, 104 rotatable bonds, 21 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-ethylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;1-benzyl-3-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]urea;4,4-dimethyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-6-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-3-methylbutane-1-sulfonamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-[5-(2-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,4-dioxo-1-(2-propan-2-ylpiperidin-1-yl)heptan-3-yl]-4-methylpentanamide;4-methyl-N-[(3S,6R)-6-(4-methyl-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]pentanamide is sourced from PubChem (CID 162292438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).