N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-3,3-dimethylcyclobutane-1-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide

C159H221F4N25O19 — CID 159027921

IUPACN-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-3,3-dimethylcyclobutane-1-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)C1CC1C(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1C)C(=O)C[C@@H](C)c1nc2c(F)cccc2[nH]1.CC(C)CCC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1C)C(=O)C[C@@H](C)c1nc2c(F)cccc2[nH]1.C[C@@H](CC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NC(=O)CCC(C)(C)C)c1nc2ccccc2[nH]1.C[C@H](CC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NC(=O)C1CC(C)(C)C1)c1nc2c(F)cccc2[nH]1.C[C@H](CC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NC(=O)CCC(C)(C)C)c1nc2c(F)cccc2[nH]1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)C[C@@H](C)c2nc3ccccc3[nH]2)no1
InChIInChI=1S/2C27H37FN4O3.C27H39FN4O3.C27H40N4O3.C26H37FN4O3.C25H31N5O4/c1-16(25-29-20-10-7-9-19(28)24(20)31-25)12-22(33)21(30-26(35)18-14-27(3,4)15-18)13-23(34)32-11-6-5-8-17(32)2;1-15(2)18-13-19(18)27(35)30-22(14-24(34)32-11-6-5-8-17(32)4)23(33)12-16(3)26-29-21-10-7-9-20(28)25(21)31-26;1-17(26-30-20-11-8-10-19(28)25(20)31-26)15-22(33)21(29-23(34)12-13-27(3,4)5)16-24(35)32-14-7-6-9-18(32)2;1-18(26-29-20-11-6-7-12-21(20)30-26)16-23(32)22(28-24(33)13-14-27(3,4)5)17-25(34)31-15-9-8-10-19(31)2;1-16(2)11-12-23(33)28-21(15-24(34)31-13-6-5-8-18(31)4)22(32)14-17(3)26-29-20-10-7-9-19(27)25(20)30-26;1-15(24-26-18-9-4-5-10-19(18)27-24)12-22(31)20(28-25(33)21-13-17(3)34-29-21)14-23(32)30-11-7-6-8-16(30)2/h7,9-10,16-18,21H,5-6,8,11-15H2,1-4H3,(H,29,31)(H,30,35);7,9-10,15-19,22H,5-6,8,11-14H2,1-4H3,(H,29,31)(H,30,35);8,10-11,17-18,21H,6-7,9,12-16H2,1-5H3,(H,29,34)(H,30,31);6-7,11-12,18-19,22H,8-10,13-17H2,1-5H3,(H,28,33)(H,29,30);7,9-10,16-18,21H,5-6,8,11-15H2,1-4H3,(H,28,33)(H,29,30);4-5,9-10,13,15-16,20H,6-8,11-12,14H2,1-3H3,(H,26,27)(H,28,33)/t16-,17+,21+;16-,17+,18?,19?,22+;17-,18+,21+;18-,19-,22-;17-,18+,21+;15-,16+,20+/m111011/s1
InChIKeyJUMWUGMTACUIMJ-VGRQQRRBSA-N
MW2862.66 g/mol
LogP26.39
Rot. Bonds53

About N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-3,3-dimethylcyclobutane-1-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide

N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-3,3-dimethylcyclobutane-1-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 159027921) has the molecular formula C159H221F4N25O19 and a molecular weight of 2862.66 g/mol. Its IUPAC name is N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-3,3-dimethylcyclobutane-1-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-3,3-dimethylcyclobutane-1-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide
PubChem CID159027921
Molecular FormulaC159H221F4N25O19
Molecular Weight2862.66 g/mol
Exact Mass2860.70
IUPAC NameN-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-3,3-dimethylcyclobutane-1-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)C1CC1C(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1C)C(=O)C[C@@H](C)c1nc2c(F)cccc2[nH]1.CC(C)CCC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1C)C(=O)C[C@@H](C)c1nc2c(F)cccc2[nH]1.C[C@@H](CC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NC(=O)CCC(C)(C)C)c1nc2ccccc2[nH]1.C[C@H](CC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NC(=O)C1CC(C)(C)C1)c1nc2c(F)cccc2[nH]1.C[C@H](CC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NC(=O)CCC(C)(C)C)c1nc2c(F)cccc2[nH]1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)C[C@@H](C)c2nc3ccccc3[nH]2)no1
InChIInChI=1S/2C27H37FN4O3.C27H39FN4O3.C27H40N4O3.C26H37FN4O3.C25H31N5O4/c1-16(25-29-20-10-7-9-19(28)24(20)31-25)12-22(33)21(30-26(35)18-14-27(3,4)15-18)13-23(34)32-11-6-5-8-17(32)2;1-15(2)18-13-19(18)27(35)30-22(14-24(34)32-11-6-5-8-17(32)4)23(33)12-16(3)26-29-21-10-7-9-20(28)25(21)31-26;1-17(26-30-20-11-8-10-19(28)25(20)31-26)15-22(33)21(29-23(34)12-13-27(3,4)5)16-24(35)32-14-7-6-9-18(32)2;1-18(26-29-20-11-6-7-12-21(20)30-26)16-23(32)22(28-24(33)13-14-27(3,4)5)17-25(34)31-15-9-8-10-19(31)2;1-16(2)11-12-23(33)28-21(15-24(34)31-13-6-5-8-18(31)4)22(32)14-17(3)26-29-20-10-7-9-19(27)25(20)30-26;1-15(24-26-18-9-4-5-10-19(18)27-24)12-22(31)20(28-25(33)21-13-17(3)34-29-21)14-23(32)30-11-7-6-8-16(30)2/h7,9-10,16-18,21H,5-6,8,11-15H2,1-4H3,(H,29,31)(H,30,35);7,9-10,15-19,22H,5-6,8,11-14H2,1-4H3,(H,29,31)(H,30,35);8,10-11,17-18,21H,6-7,9,12-16H2,1-5H3,(H,29,34)(H,30,31);6-7,11-12,18-19,22H,8-10,13-17H2,1-5H3,(H,28,33)(H,29,30);7,9-10,16-18,21H,5-6,8,11-15H2,1-4H3,(H,28,33)(H,29,30);4-5,9-10,13,15-16,20H,6-8,11-12,14H2,1-3H3,(H,26,27)(H,28,33)/t16-,17+,21+;16-,17+,18?,19?,22+;17-,18+,21+;18-,19-,22-;17-,18+,21+;15-,16+,20+/m111011/s1
InChIKeyJUMWUGMTACUIMJ-VGRQQRRBSA-N
XLogP26.39
TPSA596.99 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds53
Heavy Atoms207
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002862.66
LogP ≤ 526.39
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Analyze N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-3,3-dimethylcyclobutane-1-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-3,3-dimethylcyclobutane-1-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-3,3-dimethylcyclobutane-1-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide (CID 159027921) is N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-3,3-dimethylcyclobutane-1-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-3,3-dimethylcyclobutane-1-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-3,3-dimethylcyclobutane-1-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide is CC(C)C1CC1C(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1C)C(=O)C[C@@H](C)c1nc2c(F)cccc2[nH]1.CC(C)CCC(=O)N[C@@H](CC(=O)N1CCCC[C@@H]1C)C(=O)C[C@@H](C)c1nc2c(F)cccc2[nH]1.C[C@@H](CC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NC(=O)CCC(C)(C)C)c1nc2ccccc2[nH]1.C[C@H](CC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NC(=O)C1CC(C)(C)C1)c1nc2c(F)cccc2[nH]1.C[C@H](CC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NC(=O)CCC(C)(C)C)c1nc2c(F)cccc2[nH]1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)C[C@@H](C)c2nc3ccccc3[nH]2)no1.
What is the InChIKey of N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-3,3-dimethylcyclobutane-1-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is JUMWUGMTACUIMJ-VGRQQRRBSA-N. The full InChI is InChI=1S/2C27H37FN4O3.C27H39FN4O3.C27H40N4O3.C26H37FN4O3.C25H31N5O4/c1-16(25-29-20-10-7-9-19(28)24(20)31-25)12-22(33)21(30-26(35)18-14-27(3,4)15-18)13-23(34)32-11-6-5-8-17(32)2;1-15(2)18-13-19(18)27(35)30-22(14-24(34)32-11-6-5-8-17(32)4)23(33)12-16(3)26-29-21-10-7-9-20(28)25(21)31-26;1-17(26-30-20-11-8-10-19(28)25(20)31-26)15-22(33)21(29-23(34)12-13-27(3,4)5)16-24(35)32-14-7-6-9-18(32)2;1-18(26-29-20-11-6-7-12-21(20)30-26)16-23(32)22(28-24(33)13-14-27(3,4)5)17-25(34)31-15-9-8-10-19(31)2;1-16(2)11-12-23(33)28-21(15-24(34)31-13-6-5-8-18(31)4)22(32)14-17(3)26-29-20-10-7-9-19(27)25(20)30-26;1-15(24-26-18-9-4-5-10-19(18)27-24)12-22(31)20(28-25(33)21-13-17(3)34-29-21)14-23(32)30-11-7-6-8-16(30)2/h7,9-10,16-18,21H,5-6,8,11-15H2,1-4H3,(H,29,31)(H,30,35);7,9-10,15-19,22H,5-6,8,11-14H2,1-4H3,(H,29,31)(H,30,35);8,10-11,17-18,21H,6-7,9,12-16H2,1-5H3,(H,29,34)(H,30,31);6-7,11-12,18-19,22H,8-10,13-17H2,1-5H3,(H,28,33)(H,29,30);7,9-10,16-18,21H,5-6,8,11-15H2,1-4H3,(H,28,33)(H,29,30);4-5,9-10,13,15-16,20H,6-8,11-12,14H2,1-3H3,(H,26,27)(H,28,33)/t16-,17+,21+;16-,17+,18?,19?,22+;17-,18+,21+;18-,19-,22-;17-,18+,21+;15-,16+,20+/m111011/s1.
What are the key properties of N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-3,3-dimethylcyclobutane-1-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide?
N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-3,3-dimethylcyclobutane-1-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 2862.66 g/mol, XLogP of 26.39, 53 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-3,3-dimethylcyclobutane-1-carboxamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 159027921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).