(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-[(2-methylpyrazol-3-yl)methyl]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

C148H256N24O13 — CID 159812384

IUPAC(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-[(2-methylpyrazol-3-yl)methyl]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
SMILESCC(C)CC1CCN(C(=O)[C@H](CC(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(COc3ccccc3)CC2)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(Cc3ccnn3C)CC2)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(Cc3nc4c(n3C)CCCC4)CC2)C1=O.CCCC1CCN(C(=O)[C@H](CC(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1.Cc1nc(CC2CCN(C(=O)[C@H](CC(C)C)N3CCN[C@@H](CC(C)C)C3=O)CC2)[nH]c1C
InChIInChI=1S/C28H47N5O2.C26H41N3O3.C25H43N5O2.C24H41N5O2.C23H43N3O2.C22H41N3O2/c1-19(2)16-23-27(34)33(15-12-29-23)25(17-20(3)4)28(35)32-13-10-21(11-14-32)18-26-30-22-8-6-7-9-24(22)31(26)5;1-19(2)16-23-25(30)29(15-12-27-23)24(17-20(3)4)26(31)28-13-10-21(11-14-28)18-32-22-8-6-5-7-9-22;1-16(2)13-21-24(31)30(12-9-26-21)22(14-17(3)4)25(32)29-10-7-20(8-11-29)15-23-27-18(5)19(6)28-23;1-17(2)14-21-23(30)29(13-10-25-21)22(15-18(3)4)24(31)28-11-7-19(8-12-28)16-20-6-9-26-27(20)5;1-16(2)13-19-7-10-25(11-8-19)23(28)21(15-18(5)6)26-12-9-24-20(22(26)27)14-17(3)4;1-6-7-18-8-11-24(12-9-18)22(27)20(15-17(4)5)25-13-10-23-19(21(25)26)14-16(2)3/h19-21,23,25,29H,6-18H2,1-5H3;5-9,19-21,23-24,27H,10-18H2,1-4H3;16-17,20-22,26H,7-15H2,1-6H3,(H,27,28);6,9,17-19,21-22,25H,7-8,10-16H2,1-5H3;16-21,24H,7-15H2,1-6H3;16-20,23H,6-15H2,1-5H3/t23-,25-;23-,24-;2*21-,22-;20-,21-;19-,20-/m000000/s1
InChIKeyNLEOWCHPZWKPAZ-DRBXNJBDSA-N
MW2579.83 g/mol
LogP19.26
Rot. Bonds49

About (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-[(2-methylpyrazol-3-yl)methyl]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

(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-[(2-methylpyrazol-3-yl)methyl]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 (PubChem CID 159812384) has the molecular formula C148H256N24O13 and a molecular weight of 2579.83 g/mol. Its IUPAC name is (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-[(2-methylpyrazol-3-yl)methyl]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.

Molecular Properties

Compound Name(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-[(2-methylpyrazol-3-yl)methyl]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
PubChem CID159812384
Molecular FormulaC148H256N24O13
Molecular Weight2579.83 g/mol
Exact Mass2578.01
IUPAC Name(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-[(2-methylpyrazol-3-yl)methyl]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
SMILESCC(C)CC1CCN(C(=O)[C@H](CC(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(COc3ccccc3)CC2)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(Cc3ccnn3C)CC2)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(Cc3nc4c(n3C)CCCC4)CC2)C1=O.CCCC1CCN(C(=O)[C@H](CC(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1.Cc1nc(CC2CCN(C(=O)[C@H](CC(C)C)N3CCN[C@@H](CC(C)C)C3=O)CC2)[nH]c1C
InChIInChI=1S/C28H47N5O2.C26H41N3O3.C25H43N5O2.C24H41N5O2.C23H43N3O2.C22H41N3O2/c1-19(2)16-23-27(34)33(15-12-29-23)25(17-20(3)4)28(35)32-13-10-21(11-14-32)18-26-30-22-8-6-7-9-24(22)31(26)5;1-19(2)16-23-25(30)29(15-12-27-23)24(17-20(3)4)26(31)28-13-10-21(11-14-28)18-32-22-8-6-5-7-9-22;1-16(2)13-21-24(31)30(12-9-26-21)22(14-17(3)4)25(32)29-10-7-20(8-11-29)15-23-27-18(5)19(6)28-23;1-17(2)14-21-23(30)29(13-10-25-21)22(15-18(3)4)24(31)28-11-7-19(8-12-28)16-20-6-9-26-27(20)5;1-16(2)13-19-7-10-25(11-8-19)23(28)21(15-18(5)6)26-12-9-24-20(22(26)27)14-17(3)4;1-6-7-18-8-11-24(12-9-18)22(27)20(15-17(4)5)25-13-10-23-19(21(25)26)14-16(2)3/h19-21,23,25,29H,6-18H2,1-5H3;5-9,19-21,23-24,27H,10-18H2,1-4H3;16-17,20-22,26H,7-15H2,1-6H3,(H,27,28);6,9,17-19,21-22,25H,7-8,10-16H2,1-5H3;16-21,24H,7-15H2,1-6H3;16-20,23H,6-15H2,1-5H3/t23-,25-;23-,24-;2*21-,22-;20-,21-;19-,20-/m000000/s1
InChIKeyNLEOWCHPZWKPAZ-DRBXNJBDSA-N
XLogP19.26
TPSA389.45 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds49
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002579.83
LogP ≤ 519.26
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze (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-[(2-methylpyrazol-3-yl)methyl]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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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-[(2-methylpyrazol-3-yl)methyl]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?
The IUPAC name of (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-[(2-methylpyrazol-3-yl)methyl]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 159812384) is (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-[(2-methylpyrazol-3-yl)methyl]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.
What is the SMILES notation for (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-[(2-methylpyrazol-3-yl)methyl]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?
The canonical SMILES for (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-[(2-methylpyrazol-3-yl)methyl]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 is CC(C)CC1CCN(C(=O)[C@H](CC(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(COc3ccccc3)CC2)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(Cc3ccnn3C)CC2)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(Cc3nc4c(n3C)CCCC4)CC2)C1=O.CCCC1CCN(C(=O)[C@H](CC(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1.Cc1nc(CC2CCN(C(=O)[C@H](CC(C)C)N3CCN[C@@H](CC(C)C)C3=O)CC2)[nH]c1C.
What is the InChIKey of (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-[(2-methylpyrazol-3-yl)methyl]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?
The InChIKey is NLEOWCHPZWKPAZ-DRBXNJBDSA-N. The full InChI is InChI=1S/C28H47N5O2.C26H41N3O3.C25H43N5O2.C24H41N5O2.C23H43N3O2.C22H41N3O2/c1-19(2)16-23-27(34)33(15-12-29-23)25(17-20(3)4)28(35)32-13-10-21(11-14-32)18-26-30-22-8-6-7-9-24(22)31(26)5;1-19(2)16-23-25(30)29(15-12-27-23)24(17-20(3)4)26(31)28-13-10-21(11-14-28)18-32-22-8-6-5-7-9-22;1-16(2)13-21-24(31)30(12-9-26-21)22(14-17(3)4)25(32)29-10-7-20(8-11-29)15-23-27-18(5)19(6)28-23;1-17(2)14-21-23(30)29(13-10-25-21)22(15-18(3)4)24(31)28-11-7-19(8-12-28)16-20-6-9-26-27(20)5;1-16(2)13-19-7-10-25(11-8-19)23(28)21(15-18(5)6)26-12-9-24-20(22(26)27)14-17(3)4;1-6-7-18-8-11-24(12-9-18)22(27)20(15-17(4)5)25-13-10-23-19(21(25)26)14-16(2)3/h19-21,23,25,29H,6-18H2,1-5H3;5-9,19-21,23-24,27H,10-18H2,1-4H3;16-17,20-22,26H,7-15H2,1-6H3,(H,27,28);6,9,17-19,21-22,25H,7-8,10-16H2,1-5H3;16-21,24H,7-15H2,1-6H3;16-20,23H,6-15H2,1-5H3/t23-,25-;23-,24-;2*21-,22-;20-,21-;19-,20-/m000000/s1.
What are the key properties of (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-[(2-methylpyrazol-3-yl)methyl]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?
(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-[(2-methylpyrazol-3-yl)methyl]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 has a molecular weight of 2579.83 g/mol, XLogP of 19.26, 49 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (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-[(2-methylpyrazol-3-yl)methyl]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 is sourced from PubChem (CID 159812384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).