(3S,6S)-3-benzyl-6-[(5-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione

C176H169Cl2F13N24O16 — CID 160840891

IUPAC(3S,6S)-3-benzyl-6-[(5-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione
SMILESCN1C(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)N(C)C(=O)[C@@H]1Cc1ccc(F)cc1.CN1C(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)N(C)C(=O)[C@@H]1Cc1cccc(F)c1.CN1C(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)N(C)C(=O)[C@@H]1Cc1ccccc1.CN1C(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)N(C)C(=O)[C@@H]1Cc1ccccc1F.CN1C(=O)[C@H](Cc2c[nH]c3cccc(F)c23)N(C)C(=O)[C@@H]1Cc1ccc(Cl)cc1.CN1C(=O)[C@H](Cc2c[nH]c3cccc(F)c23)N(C)C(=O)[C@@H]1Cc1ccc(F)cc1.CN1C(=O)[C@H](Cc2c[nH]c3cccc(F)c23)N(C)C(=O)[C@@H]1Cc1cccc(Cl)c1.CN1C(=O)[C@H](Cc2c[nH]c3cccc(F)c23)N(C)C(=O)[C@@H]1Cc1cccc(F)c1
InChIInChI=1S/2C22H21ClFN3O2.5C22H21F2N3O2.C22H22FN3O2/c1-26-18(10-13-5-3-6-15(23)9-13)21(28)27(2)19(22(26)29)11-14-12-25-17-8-4-7-16(24)20(14)17;1-26-18(10-13-6-8-15(23)9-7-13)21(28)27(2)19(22(26)29)11-14-12-25-17-5-3-4-16(24)20(14)17;1-26-19(9-13-3-5-15(23)6-4-13)21(28)27(2)20(22(26)29)10-14-12-25-18-8-7-16(24)11-17(14)18;1-26-18(10-13-5-3-6-15(23)9-13)21(28)27(2)19(22(26)29)11-14-12-25-17-8-4-7-16(24)20(14)17;1-26-18(10-13-6-8-15(23)9-7-13)21(28)27(2)19(22(26)29)11-14-12-25-17-5-3-4-16(24)20(14)17;1-26-19(9-13-4-3-5-15(23)8-13)21(28)27(2)20(22(26)29)10-14-12-25-18-7-6-16(24)11-17(14)18;1-26-19(9-13-5-3-4-6-17(13)24)21(28)27(2)20(22(26)29)10-14-12-25-18-8-7-15(23)11-16(14)18;1-25-19(10-14-6-4-3-5-7-14)21(27)26(2)20(22(25)28)11-15-13-24-18-9-8-16(23)12-17(15)18/h2*3-9,12,18-19,25H,10-11H2,1-2H3;3-8,11-12,19-20,25H,9-10H2,1-2H3;2*3-9,12,18-19,25H,10-11H2,1-2H3;2*3-8,11-12,19-20,25H,9-10H2,1-2H3;3-9,12-13,19-20,24H,10-11H2,1-2H3/t2*18-,19-;19-,20-;2*18-,19-;3*19-,20-/m00000000/s1
InChIKeySHZZOAHVAGTJLP-IAGZQQMISA-N
MW3194.32 g/mol
LogP24.08
Rot. Bonds32

About (3S,6S)-3-benzyl-6-[(5-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione

(3S,6S)-3-benzyl-6-[(5-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione (PubChem CID 160840891) has the molecular formula C176H169Cl2F13N24O16 and a molecular weight of 3194.32 g/mol. Its IUPAC name is (3S,6S)-3-benzyl-6-[(5-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-3-benzyl-6-[(5-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione
PubChem CID160840891
Molecular FormulaC176H169Cl2F13N24O16
Molecular Weight3194.32 g/mol
Exact Mass3191.23
IUPAC Name(3S,6S)-3-benzyl-6-[(5-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione
SMILESCN1C(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)N(C)C(=O)[C@@H]1Cc1ccc(F)cc1.CN1C(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)N(C)C(=O)[C@@H]1Cc1cccc(F)c1.CN1C(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)N(C)C(=O)[C@@H]1Cc1ccccc1.CN1C(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)N(C)C(=O)[C@@H]1Cc1ccccc1F.CN1C(=O)[C@H](Cc2c[nH]c3cccc(F)c23)N(C)C(=O)[C@@H]1Cc1ccc(Cl)cc1.CN1C(=O)[C@H](Cc2c[nH]c3cccc(F)c23)N(C)C(=O)[C@@H]1Cc1ccc(F)cc1.CN1C(=O)[C@H](Cc2c[nH]c3cccc(F)c23)N(C)C(=O)[C@@H]1Cc1cccc(Cl)c1.CN1C(=O)[C@H](Cc2c[nH]c3cccc(F)c23)N(C)C(=O)[C@@H]1Cc1cccc(F)c1
InChIInChI=1S/2C22H21ClFN3O2.5C22H21F2N3O2.C22H22FN3O2/c1-26-18(10-13-5-3-6-15(23)9-13)21(28)27(2)19(22(26)29)11-14-12-25-17-8-4-7-16(24)20(14)17;1-26-18(10-13-6-8-15(23)9-7-13)21(28)27(2)19(22(26)29)11-14-12-25-17-5-3-4-16(24)20(14)17;1-26-19(9-13-3-5-15(23)6-4-13)21(28)27(2)20(22(26)29)10-14-12-25-18-8-7-16(24)11-17(14)18;1-26-18(10-13-5-3-6-15(23)9-13)21(28)27(2)19(22(26)29)11-14-12-25-17-8-4-7-16(24)20(14)17;1-26-18(10-13-6-8-15(23)9-7-13)21(28)27(2)19(22(26)29)11-14-12-25-17-5-3-4-16(24)20(14)17;1-26-19(9-13-4-3-5-15(23)8-13)21(28)27(2)20(22(26)29)10-14-12-25-18-7-6-16(24)11-17(14)18;1-26-19(9-13-5-3-4-6-17(13)24)21(28)27(2)20(22(26)29)10-14-12-25-18-8-7-15(23)11-16(14)18;1-25-19(10-14-6-4-3-5-7-14)21(27)26(2)20(22(25)28)11-15-13-24-18-9-8-16(23)12-17(15)18/h2*3-9,12,18-19,25H,10-11H2,1-2H3;3-8,11-12,19-20,25H,9-10H2,1-2H3;2*3-9,12,18-19,25H,10-11H2,1-2H3;2*3-8,11-12,19-20,25H,9-10H2,1-2H3;3-9,12-13,19-20,24H,10-11H2,1-2H3/t2*18-,19-;19-,20-;2*18-,19-;3*19-,20-/m00000000/s1
InChIKeySHZZOAHVAGTJLP-IAGZQQMISA-N
XLogP24.08
TPSA451.28 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds32
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003194.32
LogP ≤ 524.08
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze (3S,6S)-3-benzyl-6-[(5-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3-benzyl-6-[(5-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione?
The IUPAC name of (3S,6S)-3-benzyl-6-[(5-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione (CID 160840891) is (3S,6S)-3-benzyl-6-[(5-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione.
What is the SMILES notation for (3S,6S)-3-benzyl-6-[(5-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione?
The canonical SMILES for (3S,6S)-3-benzyl-6-[(5-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione is CN1C(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)N(C)C(=O)[C@@H]1Cc1ccc(F)cc1.CN1C(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)N(C)C(=O)[C@@H]1Cc1cccc(F)c1.CN1C(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)N(C)C(=O)[C@@H]1Cc1ccccc1.CN1C(=O)[C@H](Cc2c[nH]c3ccc(F)cc23)N(C)C(=O)[C@@H]1Cc1ccccc1F.CN1C(=O)[C@H](Cc2c[nH]c3cccc(F)c23)N(C)C(=O)[C@@H]1Cc1ccc(Cl)cc1.CN1C(=O)[C@H](Cc2c[nH]c3cccc(F)c23)N(C)C(=O)[C@@H]1Cc1ccc(F)cc1.CN1C(=O)[C@H](Cc2c[nH]c3cccc(F)c23)N(C)C(=O)[C@@H]1Cc1cccc(Cl)c1.CN1C(=O)[C@H](Cc2c[nH]c3cccc(F)c23)N(C)C(=O)[C@@H]1Cc1cccc(F)c1.
What is the InChIKey of (3S,6S)-3-benzyl-6-[(5-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione?
The InChIKey is SHZZOAHVAGTJLP-IAGZQQMISA-N. The full InChI is InChI=1S/2C22H21ClFN3O2.5C22H21F2N3O2.C22H22FN3O2/c1-26-18(10-13-5-3-6-15(23)9-13)21(28)27(2)19(22(26)29)11-14-12-25-17-8-4-7-16(24)20(14)17;1-26-18(10-13-6-8-15(23)9-7-13)21(28)27(2)19(22(26)29)11-14-12-25-17-5-3-4-16(24)20(14)17;1-26-19(9-13-3-5-15(23)6-4-13)21(28)27(2)20(22(26)29)10-14-12-25-18-8-7-16(24)11-17(14)18;1-26-18(10-13-5-3-6-15(23)9-13)21(28)27(2)19(22(26)29)11-14-12-25-17-8-4-7-16(24)20(14)17;1-26-18(10-13-6-8-15(23)9-7-13)21(28)27(2)19(22(26)29)11-14-12-25-17-5-3-4-16(24)20(14)17;1-26-19(9-13-4-3-5-15(23)8-13)21(28)27(2)20(22(26)29)10-14-12-25-18-7-6-16(24)11-17(14)18;1-26-19(9-13-5-3-4-6-17(13)24)21(28)27(2)20(22(26)29)10-14-12-25-18-8-7-15(23)11-16(14)18;1-25-19(10-14-6-4-3-5-7-14)21(27)26(2)20(22(25)28)11-15-13-24-18-9-8-16(23)12-17(15)18/h2*3-9,12,18-19,25H,10-11H2,1-2H3;3-8,11-12,19-20,25H,9-10H2,1-2H3;2*3-9,12,18-19,25H,10-11H2,1-2H3;2*3-8,11-12,19-20,25H,9-10H2,1-2H3;3-9,12-13,19-20,24H,10-11H2,1-2H3/t2*18-,19-;19-,20-;2*18-,19-;3*19-,20-/m00000000/s1.
What are the key properties of (3S,6S)-3-benzyl-6-[(5-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione?
(3S,6S)-3-benzyl-6-[(5-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione has a molecular weight of 3194.32 g/mol, XLogP of 24.08, 32 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3-benzyl-6-[(5-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(3-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(5-fluoro-1H-indol-3-yl)methyl]-6-[(4-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 160840891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).