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

C176H176Cl2F6N24O16 — CID 161098342

IUPAC(3S,6S)-3-benzyl-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(2-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
SMILESCN1C(=O)[C@H](Cc2c[nH]c3cccc(F)c23)N(C)C(=O)[C@@H]1Cc1ccccc1.CN1C(=O)[C@H](Cc2c[nH]c3cccc(F)c23)N(C)C(=O)[C@@H]1Cc1ccccc1F.CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H]1Cc1ccc(Cl)cc1.CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H]1Cc1ccc(F)cc1.CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H]1Cc1cccc(Cl)c1.CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H]1Cc1cccc(F)c1.CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H]1Cc1ccccc1.CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H]1Cc1ccccc1F
InChIInChI=1S/2C22H22ClN3O2.C22H21F2N3O2.4C22H22FN3O2.C22H23N3O2/c1-25-19(11-14-6-5-7-16(23)10-14)21(27)26(2)20(22(25)28)12-15-13-24-18-9-4-3-8-17(15)18;1-25-19(11-14-7-9-16(23)10-8-14)21(27)26(2)20(22(25)28)12-15-13-24-18-6-4-3-5-17(15)18;1-26-18(10-13-6-3-4-7-15(13)23)21(28)27(2)19(22(26)29)11-14-12-25-17-9-5-8-16(24)20(14)17;1-25-19(11-14-7-3-5-9-17(14)23)21(27)26(2)20(22(25)28)12-15-13-24-18-10-6-4-8-16(15)18;1-25-19(11-14-6-5-7-16(23)10-14)21(27)26(2)20(22(25)28)12-15-13-24-18-9-4-3-8-17(15)18;1-25-18(11-14-7-4-3-5-8-14)21(27)26(2)19(22(25)28)12-15-13-24-17-10-6-9-16(23)20(15)17;1-25-19(11-14-7-9-16(23)10-8-14)21(27)26(2)20(22(25)28)12-15-13-24-18-6-4-3-5-17(15)18;1-24-19(12-15-8-4-3-5-9-15)21(26)25(2)20(22(24)27)13-16-14-23-18-11-7-6-10-17(16)18/h2*3-10,13,19-20,24H,11-12H2,1-2H3;3-9,12,18-19,25H,10-11H2,1-2H3;2*3-10,13,19-20,24H,11-12H2,1-2H3;3-10,13,18-19,24H,11-12H2,1-2H3;3-10,13,19-20,24H,11-12H2,1-2H3;3-11,14,19-20,23H,12-13H2,1-2H3/t2*19-,20-;18-,19-;2*19-,20-;18-,19-;2*19-,20-/m00000000/s1
InChIKeyUICCUTAZQNLSDO-MEHDSWTLSA-N
MW3068.39 g/mol
LogP23.11
Rot. Bonds32

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

(3S,6S)-3-benzyl-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(2-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione (PubChem CID 161098342) has the molecular formula C176H176Cl2F6N24O16 and a molecular weight of 3068.39 g/mol. Its IUPAC name is (3S,6S)-3-benzyl-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(2-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-3-benzyl-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(2-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
PubChem CID161098342
Molecular FormulaC176H176Cl2F6N24O16
Molecular Weight3068.39 g/mol
Exact Mass3065.30
IUPAC Name(3S,6S)-3-benzyl-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(2-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
SMILESCN1C(=O)[C@H](Cc2c[nH]c3cccc(F)c23)N(C)C(=O)[C@@H]1Cc1ccccc1.CN1C(=O)[C@H](Cc2c[nH]c3cccc(F)c23)N(C)C(=O)[C@@H]1Cc1ccccc1F.CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H]1Cc1ccc(Cl)cc1.CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H]1Cc1ccc(F)cc1.CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H]1Cc1cccc(Cl)c1.CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H]1Cc1cccc(F)c1.CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H]1Cc1ccccc1.CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H]1Cc1ccccc1F
InChIInChI=1S/2C22H22ClN3O2.C22H21F2N3O2.4C22H22FN3O2.C22H23N3O2/c1-25-19(11-14-6-5-7-16(23)10-14)21(27)26(2)20(22(25)28)12-15-13-24-18-9-4-3-8-17(15)18;1-25-19(11-14-7-9-16(23)10-8-14)21(27)26(2)20(22(25)28)12-15-13-24-18-6-4-3-5-17(15)18;1-26-18(10-13-6-3-4-7-15(13)23)21(28)27(2)19(22(26)29)11-14-12-25-17-9-5-8-16(24)20(14)17;1-25-19(11-14-7-3-5-9-17(14)23)21(27)26(2)20(22(25)28)12-15-13-24-18-10-6-4-8-16(15)18;1-25-19(11-14-6-5-7-16(23)10-14)21(27)26(2)20(22(25)28)12-15-13-24-18-9-4-3-8-17(15)18;1-25-18(11-14-7-4-3-5-8-14)21(27)26(2)19(22(25)28)12-15-13-24-17-10-6-9-16(23)20(15)17;1-25-19(11-14-7-9-16(23)10-8-14)21(27)26(2)20(22(25)28)12-15-13-24-18-6-4-3-5-17(15)18;1-24-19(12-15-8-4-3-5-9-15)21(26)25(2)20(22(24)27)13-16-14-23-18-11-7-6-10-17(16)18/h2*3-10,13,19-20,24H,11-12H2,1-2H3;3-9,12,18-19,25H,10-11H2,1-2H3;2*3-10,13,19-20,24H,11-12H2,1-2H3;3-10,13,18-19,24H,11-12H2,1-2H3;3-10,13,19-20,24H,11-12H2,1-2H3;3-11,14,19-20,23H,12-13H2,1-2H3/t2*19-,20-;18-,19-;2*19-,20-;18-,19-;2*19-,20-/m00000000/s1
InChIKeyUICCUTAZQNLSDO-MEHDSWTLSA-N
XLogP23.11
TPSA451.28 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds32
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003068.39
LogP ≤ 523.11
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze (3S,6S)-3-benzyl-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(2-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-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-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(2-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione?
The IUPAC name of (3S,6S)-3-benzyl-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(2-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione (CID 161098342) is (3S,6S)-3-benzyl-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(2-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione.
What is the SMILES notation for (3S,6S)-3-benzyl-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(2-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione?
The canonical SMILES for (3S,6S)-3-benzyl-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(2-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione is CN1C(=O)[C@H](Cc2c[nH]c3cccc(F)c23)N(C)C(=O)[C@@H]1Cc1ccccc1.CN1C(=O)[C@H](Cc2c[nH]c3cccc(F)c23)N(C)C(=O)[C@@H]1Cc1ccccc1F.CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H]1Cc1ccc(Cl)cc1.CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H]1Cc1ccc(F)cc1.CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H]1Cc1cccc(Cl)c1.CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H]1Cc1cccc(F)c1.CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H]1Cc1ccccc1.CN1C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H]1Cc1ccccc1F.
What is the InChIKey of (3S,6S)-3-benzyl-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(2-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione?
The InChIKey is UICCUTAZQNLSDO-MEHDSWTLSA-N. The full InChI is InChI=1S/2C22H22ClN3O2.C22H21F2N3O2.4C22H22FN3O2.C22H23N3O2/c1-25-19(11-14-6-5-7-16(23)10-14)21(27)26(2)20(22(25)28)12-15-13-24-18-9-4-3-8-17(15)18;1-25-19(11-14-7-9-16(23)10-8-14)21(27)26(2)20(22(25)28)12-15-13-24-18-6-4-3-5-17(15)18;1-26-18(10-13-6-3-4-7-15(13)23)21(28)27(2)19(22(26)29)11-14-12-25-17-9-5-8-16(24)20(14)17;1-25-19(11-14-7-3-5-9-17(14)23)21(27)26(2)20(22(25)28)12-15-13-24-18-10-6-4-8-16(15)18;1-25-19(11-14-6-5-7-16(23)10-14)21(27)26(2)20(22(25)28)12-15-13-24-18-9-4-3-8-17(15)18;1-25-18(11-14-7-4-3-5-8-14)21(27)26(2)19(22(25)28)12-15-13-24-17-10-6-9-16(23)20(15)17;1-25-19(11-14-7-9-16(23)10-8-14)21(27)26(2)20(22(25)28)12-15-13-24-18-6-4-3-5-17(15)18;1-24-19(12-15-8-4-3-5-9-15)21(26)25(2)20(22(24)27)13-16-14-23-18-11-7-6-10-17(16)18/h2*3-10,13,19-20,24H,11-12H2,1-2H3;3-9,12,18-19,25H,10-11H2,1-2H3;2*3-10,13,19-20,24H,11-12H2,1-2H3;3-10,13,18-19,24H,11-12H2,1-2H3;3-10,13,19-20,24H,11-12H2,1-2H3;3-11,14,19-20,23H,12-13H2,1-2H3/t2*19-,20-;18-,19-;2*19-,20-;18-,19-;2*19-,20-/m00000000/s1.
What are the key properties of (3S,6S)-3-benzyl-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(2-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione?
(3S,6S)-3-benzyl-6-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(2-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione has a molecular weight of 3068.39 g/mol, XLogP of 23.11, 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-[(4-fluoro-1H-indol-3-yl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-chlorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluoro-1H-indol-3-yl)methyl]-6-[(2-fluorophenyl)methyl]-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(2-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(3-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione;(3S,6S)-3-[(4-fluorophenyl)methyl]-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 161098342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).