(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-(pyridin-3-ylmethyl)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

C127H214N20O12 — CID 157159509

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;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-(pyridin-3-ylmethyl)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(Cc3ccccc3)CC2)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(Cc3cccnc3)CC2)C1=O.CCOC(=O)CC1CCN(C(=O)[C@H](CC(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1.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/C27H47N5O2.C26H45N5O2.C26H41N3O2.C25H40N4O2.C23H41N3O4/c1-8-31-21(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;1-17(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;1-18(2)14-22-24(30)29(13-10-27-22)23(15-19(3)4)25(31)28-11-7-20(8-12-28)16-21-6-5-9-26-17-21;1-6-30-21(27)15-18-7-10-25(11-8-18)23(29)20(14-17(4)5)26-12-9-24-19(22(26)28)13-16(2)3/h18-19,22-24,28H,8-17H2,1-7H3;17-18,21-23,27H,8-16H2,1-7H3;5-9,19-20,22-24,27H,10-18H2,1-4H3;5-6,9,17-20,22-23,27H,7-8,10-16H2,1-4H3;16-20,24H,6-15H2,1-5H3/t23-,24-;22-,23-;23-,24-;22-,23-;19-,20-/m00000/s1
InChIKeyAMEXSGNULLEGCP-MZSHDIFMSA-N
MW2213.24 g/mol
LogP15.93
Rot. Bonds42

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;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-(pyridin-3-ylmethyl)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;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-(pyridin-3-ylmethyl)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 157159509) has the molecular formula C127H214N20O12 and a molecular weight of 2213.24 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;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-(pyridin-3-ylmethyl)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;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-(pyridin-3-ylmethyl)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 CID157159509
Molecular FormulaC127H214N20O12
Molecular Weight2213.24 g/mol
Exact Mass2211.68
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;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-(pyridin-3-ylmethyl)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(Cc3ccccc3)CC2)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(Cc3cccnc3)CC2)C1=O.CCOC(=O)CC1CCN(C(=O)[C@H](CC(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1.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/C27H47N5O2.C26H45N5O2.C26H41N3O2.C25H40N4O2.C23H41N3O4/c1-8-31-21(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;1-17(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;1-18(2)14-22-24(30)29(13-10-27-22)23(15-19(3)4)25(31)28-11-7-20(8-12-28)16-21-6-5-9-26-17-21;1-6-30-21(27)15-18-7-10-25(11-8-18)23(29)20(14-17(4)5)26-12-9-24-19(22(26)28)13-16(2)3/h18-19,22-24,28H,8-17H2,1-7H3;17-18,21-23,27H,8-16H2,1-7H3;5-9,19-20,22-24,27H,10-18H2,1-4H3;5-6,9,17-20,22-23,27H,7-8,10-16H2,1-4H3;16-20,24H,6-15H2,1-5H3/t23-,24-;22-,23-;23-,24-;22-,23-;19-,20-/m00000/s1
InChIKeyAMEXSGNULLEGCP-MZSHDIFMSA-N
XLogP15.93
TPSA338.08 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds42
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002213.24
LogP ≤ 515.93
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;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-(pyridin-3-ylmethyl)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

(2S)-N-[(1S)-2-[(2S)-2-(6-fluoro-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide
CID 24965408
(2S)-N-[(1S)-2-[(2S)-2-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide
CID 24965758
(2R)-N-[(1S)-2-[(2S)-2-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide
CID 58056726
(2R)-N-[(1S)-2-[(2S)-2-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide
CID 58056732
(2R)-N-[(1S)-2-[(2S)-2-(6-fluoro-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide
CID 58056734
(2S)-N-[(1S)-2-[(2S)-2-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide
CID 59334648
methyl N-[(1S)-2-[(2S)-2-[5-fluoro-4-[4-[4-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-6-methylpiperidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 144204293
3,3-Difluoro-1-methyl-4-propan-2-ylpiperidine;3,5-difluoro-1-methyl-4-propan-2-ylpiperidine;3,3-difluoro-4-propan-2-ylpiperidine;3,5-difluoro-4-propan-2-ylpiperidine;1,3-dimethyl-7-propan-2-yl-5,6,7,8-tetrahydroindolizine;3-fluoro-1-methyl-4-propan-2-ylpiperidine;3-fluoro-4-propan-2-ylpiperidine;1-methyl-7-propan-2-yl-2,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridin-3-one;1-methyl-4-propan-2-ylpiperidin-2-one;3-methyl-7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;7-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;7-propan-2-yl-5,6,7,8-tetrahydroindolizine
CID 160797400
(4S,11S,18S)-7,14-dimethyl-6,13,20-tris[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methyl]-4,11,18-tri(propan-2-yl)-3,6,10,13,17,20,22,23,24-nonazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
CID 135013747
5-oxo-5-[[(2R,4S,5R)-5-(6-pentan-3-yl-2-pyridin-4-ylpyrimidin-4-yl)-1-azoniabicyclo[2.2.2]octan-2-yl]methylamino]pentanoate
CID 40776954
methyl N-[(1R)-2-[[(1R)-1-[5-[6-[5-[2-[(1S)-1-[[(2S)-2-(methoxycarbonylamino)-2-phenyl-acetyl]amino]ethyl]-1H-imidazol-5-yl]-2-pyridyl]-3-pyridyl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenyl-ethyl]carbamate
CID 24810437
(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(5-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide
CID 24829352

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;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-(pyridin-3-ylmethyl)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;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-(pyridin-3-ylmethyl)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 157159509) 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;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-(pyridin-3-ylmethyl)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;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-(pyridin-3-ylmethyl)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;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-(pyridin-3-ylmethyl)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(Cc3ccccc3)CC2)C1=O.CC(C)C[C@@H]1NCCN([C@@H](CC(C)C)C(=O)N2CCC(Cc3cccnc3)CC2)C1=O.CCOC(=O)CC1CCN(C(=O)[C@H](CC(C)C)N2CCN[C@@H](CC(C)C)C2=O)CC1.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;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-(pyridin-3-ylmethyl)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 AMEXSGNULLEGCP-MZSHDIFMSA-N. The full InChI is InChI=1S/C27H47N5O2.C26H45N5O2.C26H41N3O2.C25H40N4O2.C23H41N3O4/c1-8-31-21(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;1-17(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;1-18(2)14-22-24(30)29(13-10-27-22)23(15-19(3)4)25(31)28-11-7-20(8-12-28)16-21-6-5-9-26-17-21;1-6-30-21(27)15-18-7-10-25(11-8-18)23(29)20(14-17(4)5)26-12-9-24-19(22(26)28)13-16(2)3/h18-19,22-24,28H,8-17H2,1-7H3;17-18,21-23,27H,8-16H2,1-7H3;5-9,19-20,22-24,27H,10-18H2,1-4H3;5-6,9,17-20,22-23,27H,7-8,10-16H2,1-4H3;16-20,24H,6-15H2,1-5H3/t23-,24-;22-,23-;23-,24-;22-,23-;19-,20-/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;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-(pyridin-3-ylmethyl)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;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-(pyridin-3-ylmethyl)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 2213.24 g/mol, XLogP of 15.93, 42 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;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-(pyridin-3-ylmethyl)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 157159509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).