(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-(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-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

C124H215N19O11 — CID 158693700

IUPAC(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-(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-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.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)n(CC2CC2)c1C
InChIInChI=1S/C29H49N5O2.C26H41N3O3.C24H41N5O2.C23H43N3O2.C22H41N3O2/c1-19(2)15-25-28(35)33(14-11-30-25)26(16-20(3)4)29(36)32-12-9-23(10-13-32)17-27-31-21(5)22(6)34(27)18-24-7-8-24;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;1-17(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/h19-20,23-26,30H,7-18H2,1-6H3;5-9,19-21,23-24,27H,10-18H2,1-4H3;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/t25-,26-;23-,24-;21-,22-;20-,21-;19-,20-/m00000/s1
InChIKeyIGQZSNQUFUAVLF-PZSDDNHUSA-N
MW2148.21 g/mol
LogP16.80
Rot. Bonds43

About (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-(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-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-[[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-(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-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 158693700) has the molecular formula C124H215N19O11 and a molecular weight of 2148.21 g/mol. Its IUPAC name is (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-(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-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-[[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-(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-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 CID158693700
Molecular FormulaC124H215N19O11
Molecular Weight2148.21 g/mol
Exact Mass2146.68
IUPAC Name(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-(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-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.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)n(CC2CC2)c1C
InChIInChI=1S/C29H49N5O2.C26H41N3O3.C24H41N5O2.C23H43N3O2.C22H41N3O2/c1-19(2)15-25-28(35)33(14-11-30-25)26(16-20(3)4)29(36)32-12-9-23(10-13-32)17-27-31-21(5)22(6)34(27)18-24-7-8-24;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;1-17(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/h19-20,23-26,30H,7-18H2,1-6H3;5-9,19-21,23-24,27H,10-18H2,1-4H3;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/t25-,26-;23-,24-;21-,22-;20-,21-;19-,20-/m00000/s1
InChIKeyIGQZSNQUFUAVLF-PZSDDNHUSA-N
XLogP16.80
TPSA308.12 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds43
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002148.21
LogP ≤ 516.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze (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-(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-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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Launch Full Analysis

Related Compounds

(11R)-15-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-fluorobenzyl]-11-isobutyl-19-oxa-3,6,9,12,15-pentaazatricyclo[18.3.1.0~2,6~]tetracosa-1(24),2,4,20,22-pentaene-10,13-dione
CID 156584837
(2S)-N-[(1S)-2-[6-[2-[4-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]phenyl]ethyl]-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide
CID 126511561
(2S)-N-[(1S)-2-[6-[2-[4-[2-[2-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethyl]-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide
CID 126511573
(2S)-N-[(1S)-2-[6-[2-[4-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]phenyl]ethyl]-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide
CID 126511602
(2S)-N-[(1S)-2-[6-[2-[4-[2-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethyl]-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide
CID 126511634
(2S)-N-[(1S)-2-[(3aS,7aR)-6-[2-[4-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]phenyl]ethyl]-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide
CID 126552009
(2S)-N-[(1S)-2-[(3aS,7aR)-6-[2-[4-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]phenyl]ethyl]-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide
CID 126552010
(2S)-N-[(1S)-2-[(3aS,7aR)-6-[2-[4-[2-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethyl]-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide
CID 126552014
(2S)-N-[2-[(3aS,7aR)-6-[2-[4-[2-[2-[2-[4-[[4-[1-benzyl-5-(dimethylamino)pyrazol-4-yl]pyrimidin-2-yl]amino]cyclohexyl]oxyethoxy]ethoxy]ethoxy]phenyl]ethyl]-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-(methylamino)propanamide
CID 126570664
(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
N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-pyrazin-2-ylpentanamide;N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-pyridazin-3-ylpentanamide;N-[2-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenoxy]ethyl]-N-methyl-5-pyrimidin-2-ylpentanamide
CID 157582590
4-tert-butyl-2-methylpyridine;2,4-dimethyl-6-propan-2-yloxypyrimidine;2,4-dimethyl-6-(4-propylpiperazin-1-yl)pyrimidine;1,3-dimethylpyrazole;2,6-dimethylpyridine;N-(2,6-dimethylpyrimidin-4-yl)cyclopropanecarboxamide;4-ethoxy-2-methylpyridine;5-ethyl-2,4-dimethylpyridine;4-ethyl-2,6-dimethylpyrimidine;4-ethyl-2-methylpyridine;4-(methoxymethyl)-2-methylpyridine;4-methoxy-6-methylpyrimidine;4-methyl-6-propan-2-yloxypyrimidine;4-methyl-6-propan-2-ylpyrimidine;3-methylpyridazine;4-methylpyrimidine;2,4,5-trimethylpyridine;tris(2,4,6-trimethylpyrimidine)
CID 157809516

Frequently Asked Questions

What is the IUPAC name of (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-(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-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-[[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-(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-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 158693700) is (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-(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-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-[[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-(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-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-[[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-(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-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.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)n(CC2CC2)c1C.
What is the InChIKey of (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-(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-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 IGQZSNQUFUAVLF-PZSDDNHUSA-N. The full InChI is InChI=1S/C29H49N5O2.C26H41N3O3.C24H41N5O2.C23H43N3O2.C22H41N3O2/c1-19(2)15-25-28(35)33(14-11-30-25)26(16-20(3)4)29(36)32-12-9-23(10-13-32)17-27-31-21(5)22(6)34(27)18-24-7-8-24;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;1-17(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/h19-20,23-26,30H,7-18H2,1-6H3;5-9,19-21,23-24,27H,10-18H2,1-4H3;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/t25-,26-;23-,24-;21-,22-;20-,21-;19-,20-/m00000/s1.
What are the key properties of (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-(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-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-[[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-(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-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 2148.21 g/mol, XLogP of 16.80, 43 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (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-(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-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 158693700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).