(3S)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(1-ethyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-4,5-dipropylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(1-phenoxyethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one

C136H229N21O11 — CID 159429130

IUPAC(3S)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(1-ethyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-4,5-dipropylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(1-phenoxyethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(C(C)Oc3ccccc3)CC2)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(Cc3ccccc3)CC2)C1=O.CCCc1nc(CC2CCN(C(=O)[C@H](CC(C)C)N3CCN[C@@H](CC(C)C)C3=O)CC2)n(C)c1CCC.CCn1c(CC2CCN(C(=O)[C@H](CC(C)C)N3CCN[C@@H](CC(C)C)C3=O)CC2)nc(C)c1C.Cc1nc(CC2CCN(C(=O)[C@H](CC(C)C)N3CCN[C@@H](CC(C)C)C3=O)CC2)n(C)c1C
InChIInChI=1S/C30H53N5O2.C27H47N5O2.C27H43N3O3.C26H45N5O2.C26H41N3O2/c1-8-10-24-26(11-9-2)33(7)28(32-24)20-23-12-15-34(16-13-23)30(37)27(19-22(5)6)35-17-14-31-25(29(35)36)18-21(3)4;1-8-31-21(7)20(6)29-25(31)17-22-9-12-30(13-10-22)27(34)24(16-19(4)5)32-14-11-28-23(26(32)33)15-18(2)3;1-19(2)17-24-26(31)30(16-13-28-24)25(18-20(3)4)27(32)29-14-11-22(12-15-29)21(5)33-23-9-7-6-8-10-23;1-17(2)14-22-25(32)31(13-10-27-22)23(15-18(3)4)26(33)30-11-8-21(9-12-30)16-24-28-19(5)20(6)29(24)7;1-19(2)16-23-25(30)29(15-12-27-23)24(17-20(3)4)26(31)28-13-10-22(11-14-28)18-21-8-6-5-7-9-21/h21-23,25,27,31H,8-20H2,1-7H3;18-19,22-24,28H,8-17H2,1-7H3;6-10,19-22,24-25,28H,11-18H2,1-5H3;17-18,21-23,27H,8-16H2,1-7H3;5-9,19-20,22-24,27H,10-18H2,1-4H3/t25-,27-;23-,24-;21?,24-,25-;22-,23-;23-,24-/m00000/s1
InChIKeyLQTJHKPDGPZMPR-NBEUGJCJSA-N
MW2334.46 g/mol
LogP18.69
Rot. Bonds46

About (3S)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(1-ethyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-4,5-dipropylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(1-phenoxyethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one

(3S)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(1-ethyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-4,5-dipropylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(1-phenoxyethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one (PubChem CID 159429130) has the molecular formula C136H229N21O11 and a molecular weight of 2334.46 g/mol. Its IUPAC name is (3S)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(1-ethyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-4,5-dipropylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(1-phenoxyethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(1-ethyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-4,5-dipropylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(1-phenoxyethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
PubChem CID159429130
Molecular FormulaC136H229N21O11
Molecular Weight2334.46 g/mol
Exact Mass2332.80
IUPAC Name(3S)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(1-ethyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-4,5-dipropylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(1-phenoxyethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(C(C)Oc3ccccc3)CC2)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(Cc3ccccc3)CC2)C1=O.CCCc1nc(CC2CCN(C(=O)[C@H](CC(C)C)N3CCN[C@@H](CC(C)C)C3=O)CC2)n(C)c1CCC.CCn1c(CC2CCN(C(=O)[C@H](CC(C)C)N3CCN[C@@H](CC(C)C)C3=O)CC2)nc(C)c1C.Cc1nc(CC2CCN(C(=O)[C@H](CC(C)C)N3CCN[C@@H](CC(C)C)C3=O)CC2)n(C)c1C
InChIInChI=1S/C30H53N5O2.C27H47N5O2.C27H43N3O3.C26H45N5O2.C26H41N3O2/c1-8-10-24-26(11-9-2)33(7)28(32-24)20-23-12-15-34(16-13-23)30(37)27(19-22(5)6)35-17-14-31-25(29(35)36)18-21(3)4;1-8-31-21(7)20(6)29-25(31)17-22-9-12-30(13-10-22)27(34)24(16-19(4)5)32-14-11-28-23(26(32)33)15-18(2)3;1-19(2)17-24-26(31)30(16-13-28-24)25(18-20(3)4)27(32)29-14-11-22(12-15-29)21(5)33-23-9-7-6-8-10-23;1-17(2)14-22-25(32)31(13-10-27-22)23(15-18(3)4)26(33)30-11-8-21(9-12-30)16-24-28-19(5)20(6)29(24)7;1-19(2)16-23-25(30)29(15-12-27-23)24(17-20(3)4)26(31)28-13-10-22(11-14-28)18-21-8-6-5-7-9-21/h21-23,25,27,31H,8-20H2,1-7H3;18-19,22-24,28H,8-17H2,1-7H3;6-10,19-22,24-25,28H,11-18H2,1-5H3;17-18,21-23,27H,8-16H2,1-7H3;5-9,19-20,22-24,27H,10-18H2,1-4H3/t25-,27-;23-,24-;21?,24-,25-;22-,23-;23-,24-/m00000/s1
InChIKeyLQTJHKPDGPZMPR-NBEUGJCJSA-N
XLogP18.69
TPSA325.94 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds46
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002334.46
LogP ≤ 518.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze (3S)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(1-ethyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-4,5-dipropylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(1-phenoxyethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-[(7S)-7-[(3S)-3-[(5S)-2,3-dimethyl-6-[4-[(1-methyl-5-propylimidazol-2-yl)methyl]piperidin-1-yl]-5-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-6-oxohexyl]-2-oxopiperazin-1-yl]-2,5-dimethyl-8-[4-[(1-methyl-4,5-dipropylimidazol-2-yl)methyl]piperidin-1-yl]-8-oxooctyl]-1-[(2S)-4-methyl-1-oxo-1-[4-(1-phenoxyethyl)piperidin-1-yl]pentan-2-yl]piperazin-2-one
CID 138749113
(3S)-1-[(2S)-8-[(2S)-4-[(2S)-1-[4-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-4,5-dimethyl-6-[(2S)-4-[(2S)-4-methyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-2-yl]-3-oxopiperazin-2-yl]-1-oxohexan-2-yl]-3-oxopiperazin-2-yl]-4,7-dimethyl-1-[4-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]piperidin-1-yl]-1-oxooctan-2-yl]-3-(3-methylbutyl)piperazin-2-one
CID 138749183
(3S)-1-[(2S)-1-[4-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-(4-propylpiperidin-1-yl)pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 158194600
(3S)-1-[(2S)-1-[4-[(1-but-3-enylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[[1-(2-methylpropyl)imidazol-2-yl]methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 158354139
CID 158714071
CID 158714071
(3S)-1-[(2S)-1-[4-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[2-[ethyl(2-methylpropyl)amino]ethyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-(4-propylpiperidin-1-yl)pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 158902891
(3S)-1-[(2S)-6-[(2S)-4-[(2S)-4,7-dimethyl-1-[4-[(1-methyl-4,5-dipropylimidazol-2-yl)methyl]piperidin-1-yl]-8-[(2S)-4-[(2S)-4-methyl-1-oxo-1-[4-(1-phenoxyethyl)piperidin-1-yl]pentan-2-yl]-3-oxopiperazin-2-yl]-1-oxooctan-2-yl]-3-oxopiperazin-2-yl]-4,5-dimethyl-1-[4-[(1-methyl-5-propylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxohexan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 158957410
(3S)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(1-ethyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;ethyl 2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetate;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(1-phenoxyethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 159270131
(3S)-1-[(2S)-1-[4-[(1-cyclopropyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-4,5-dipropylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-5-propylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(1-phenoxyethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 160202358
(3S)-1-[(2S)-1-[4-[(1-but-3-enylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(3-methylphenoxy)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[[1-(2-methylpropyl)imidazol-2-yl]methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-[(1-propylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 160546344
(3S)-1-[(2S)-1-[4-[(1-cyclopropyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[[1-(cyclopropylmethyl)-4,5-dimethylimidazol-2-yl]methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-4,5-dipropylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-5-propylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(1-phenoxyethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 160811041
(3S)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(1-ethyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;ethyl 2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]acetate;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-4,5-dipropylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(1-phenoxyethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 164968649

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(1-ethyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-4,5-dipropylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(1-phenoxyethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one?
The IUPAC name of (3S)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(1-ethyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-4,5-dipropylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(1-phenoxyethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one (CID 159429130) is (3S)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(1-ethyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-4,5-dipropylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(1-phenoxyethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for (3S)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(1-ethyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-4,5-dipropylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(1-phenoxyethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for (3S)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(1-ethyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-4,5-dipropylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(1-phenoxyethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one is CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(C(C)Oc3ccccc3)CC2)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(Cc3ccccc3)CC2)C1=O.CCCc1nc(CC2CCN(C(=O)[C@H](CC(C)C)N3CCN[C@@H](CC(C)C)C3=O)CC2)n(C)c1CCC.CCn1c(CC2CCN(C(=O)[C@H](CC(C)C)N3CCN[C@@H](CC(C)C)C3=O)CC2)nc(C)c1C.Cc1nc(CC2CCN(C(=O)[C@H](CC(C)C)N3CCN[C@@H](CC(C)C)C3=O)CC2)n(C)c1C.
What is the InChIKey of (3S)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(1-ethyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-4,5-dipropylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(1-phenoxyethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one?
The InChIKey is LQTJHKPDGPZMPR-NBEUGJCJSA-N. The full InChI is InChI=1S/C30H53N5O2.C27H47N5O2.C27H43N3O3.C26H45N5O2.C26H41N3O2/c1-8-10-24-26(11-9-2)33(7)28(32-24)20-23-12-15-34(16-13-23)30(37)27(19-22(5)6)35-17-14-31-25(29(35)36)18-21(3)4;1-8-31-21(7)20(6)29-25(31)17-22-9-12-30(13-10-22)27(34)24(16-19(4)5)32-14-11-28-23(26(32)33)15-18(2)3;1-19(2)17-24-26(31)30(16-13-28-24)25(18-20(3)4)27(32)29-14-11-22(12-15-29)21(5)33-23-9-7-6-8-10-23;1-17(2)14-22-25(32)31(13-10-27-22)23(15-18(3)4)26(33)30-11-8-21(9-12-30)16-24-28-19(5)20(6)29(24)7;1-19(2)16-23-25(30)29(15-12-27-23)24(17-20(3)4)26(31)28-13-10-22(11-14-28)18-21-8-6-5-7-9-21/h21-23,25,27,31H,8-20H2,1-7H3;18-19,22-24,28H,8-17H2,1-7H3;6-10,19-22,24-25,28H,11-18H2,1-5H3;17-18,21-23,27H,8-16H2,1-7H3;5-9,19-20,22-24,27H,10-18H2,1-4H3/t25-,27-;23-,24-;21?,24-,25-;22-,23-;23-,24-/m00000/s1.
What are the key properties of (3S)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(1-ethyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-4,5-dipropylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(1-phenoxyethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one?
(3S)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(1-ethyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-4,5-dipropylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(1-phenoxyethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one has a molecular weight of 2334.46 g/mol, XLogP of 18.69, 46 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-1-[4-[(1-ethyl-4,5-dimethylimidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-[4-[(1-methyl-4,5-dipropylimidazol-2-yl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-(1-phenoxyethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one;(3S)-1-[(2S)-4-methyl-1-oxo-1-[4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 159429130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).