N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(2-ethoxyethoxy)-5-fluorophenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(3-methylbutoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-3-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide

C166H194F9N21O27 — CID 158997940

IUPACN-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(2-ethoxyethoxy)-5-fluorophenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(3-methylbutoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-3-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1cc(F)cc(OCCC(C)C)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O.CC(=O)N[C@@H](Cc1cc(F)cc(OCc2ccc(C(F)(F)F)o2)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O.CC(=O)N[C@@H](Cc1cc(F)cc(OCc2ccccn2)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O.CC(=O)N[C@@H](Cc1cc(F)cc(OCc2cccnc2)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O.CCOCCOc1cc(F)cc(C[C@H](NC(C)=O)[C@H](O)[C@@H]2NCCN(Cc3ccccc3)C2=O)c1.COc1ccc(COc2cc(F)cc(C[C@H](NC(C)=O)[C@H](O)[C@@H]3NCCN(Cc4ccccc4)C3=O)c2)cn1
InChIInChI=1S/C29H33FN4O5.C28H29F4N3O5.2C28H31FN4O4.C27H36FN3O4.C26H34FN3O5/c1-19(35)33-25(28(36)27-29(37)34(11-10-31-27)17-20-6-4-3-5-7-20)14-22-12-23(30)15-24(13-22)39-18-21-8-9-26(38-2)32-16-21;1-17(36)34-23(26(37)25-27(38)35(10-9-33-25)15-18-5-3-2-4-6-18)13-19-11-20(29)14-22(12-19)39-16-21-7-8-24(40-21)28(30,31)32;1-19(34)32-25(15-21-13-22(29)16-24(14-21)37-18-23-9-5-6-10-30-23)27(35)26-28(36)33(12-11-31-26)17-20-7-3-2-4-8-20;1-19(34)32-25(14-22-12-23(29)15-24(13-22)37-18-21-8-5-9-30-16-21)27(35)26-28(36)33(11-10-31-26)17-20-6-3-2-4-7-20;1-18(2)9-12-35-23-14-21(13-22(28)16-23)15-24(30-19(3)32)26(33)25-27(34)31(11-10-29-25)17-20-7-5-4-6-8-20;1-3-34-11-12-35-22-14-20(13-21(27)16-22)15-23(29-18(2)31)25(32)24-26(33)30(10-9-28-24)17-19-7-5-4-6-8-19/h3-9,12-13,15-16,25,27-28,31,36H,10-11,14,17-18H2,1-2H3,(H,33,35);2-8,11-12,14,23,25-26,33,37H,9-10,13,15-16H2,1H3,(H,34,36);2-10,13-14,16,25-27,31,35H,11-12,15,17-18H2,1H3,(H,32,34);2-9,12-13,15-16,25-27,31,35H,10-11,14,17-18H2,1H3,(H,32,34);4-8,13-14,16,18,24-26,29,33H,9-12,15,17H2,1-3H3,(H,30,32);4-8,13-14,16,23-25,28,32H,3,9-12,15,17H2,1-2H3,(H,29,31)/t25-,27-,28-;23-,25-,26-;2*25-,26-,27-;24-,25-,26-;23-,24-,25-/m000000/s1
InChIKeyJQZCLRTUVNKQER-KCXPGQRUSA-N
MW3086.48 g/mol
LogP14.37
Rot. Bonds64

About N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(2-ethoxyethoxy)-5-fluorophenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(3-methylbutoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-3-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide

N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(2-ethoxyethoxy)-5-fluorophenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(3-methylbutoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-3-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide (PubChem CID 158997940) has the molecular formula C166H194F9N21O27 and a molecular weight of 3086.48 g/mol. Its IUPAC name is N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(2-ethoxyethoxy)-5-fluorophenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(3-methylbutoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-3-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(2-ethoxyethoxy)-5-fluorophenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(3-methylbutoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-3-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide
PubChem CID158997940
Molecular FormulaC166H194F9N21O27
Molecular Weight3086.48 g/mol
Exact Mass3084.43
IUPAC NameN-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(2-ethoxyethoxy)-5-fluorophenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(3-methylbutoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-3-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1cc(F)cc(OCCC(C)C)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O.CC(=O)N[C@@H](Cc1cc(F)cc(OCc2ccc(C(F)(F)F)o2)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O.CC(=O)N[C@@H](Cc1cc(F)cc(OCc2ccccn2)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O.CC(=O)N[C@@H](Cc1cc(F)cc(OCc2cccnc2)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O.CCOCCOc1cc(F)cc(C[C@H](NC(C)=O)[C@H](O)[C@@H]2NCCN(Cc3ccccc3)C2=O)c1.COc1ccc(COc2cc(F)cc(C[C@H](NC(C)=O)[C@H](O)[C@@H]3NCCN(Cc4ccccc4)C3=O)c2)cn1
InChIInChI=1S/C29H33FN4O5.C28H29F4N3O5.2C28H31FN4O4.C27H36FN3O4.C26H34FN3O5/c1-19(35)33-25(28(36)27-29(37)34(11-10-31-27)17-20-6-4-3-5-7-20)14-22-12-23(30)15-24(13-22)39-18-21-8-9-26(38-2)32-16-21;1-17(36)34-23(26(37)25-27(38)35(10-9-33-25)15-18-5-3-2-4-6-18)13-19-11-20(29)14-22(12-19)39-16-21-7-8-24(40-21)28(30,31)32;1-19(34)32-25(15-21-13-22(29)16-24(14-21)37-18-23-9-5-6-10-30-23)27(35)26-28(36)33(12-11-31-26)17-20-7-3-2-4-8-20;1-19(34)32-25(14-22-12-23(29)15-24(13-22)37-18-21-8-5-9-30-16-21)27(35)26-28(36)33(11-10-31-26)17-20-6-3-2-4-7-20;1-18(2)9-12-35-23-14-21(13-22(28)16-23)15-24(30-19(3)32)26(33)25-27(34)31(11-10-29-25)17-20-7-5-4-6-8-20;1-3-34-11-12-35-22-14-20(13-21(27)16-22)15-23(29-18(2)31)25(32)24-26(33)30(10-9-28-24)17-19-7-5-4-6-8-19/h3-9,12-13,15-16,25,27-28,31,36H,10-11,14,17-18H2,1-2H3,(H,33,35);2-8,11-12,14,23,25-26,33,37H,9-10,13,15-16H2,1H3,(H,34,36);2-10,13-14,16,25-27,31,35H,11-12,15,17-18H2,1H3,(H,32,34);2-9,12-13,15-16,25-27,31,35H,10-11,14,17-18H2,1H3,(H,32,34);4-8,13-14,16,18,24-26,29,33H,9-12,15,17H2,1-3H3,(H,30,32);4-8,13-14,16,23-25,28,32H,3,9-12,15,17H2,1-2H3,(H,29,31)/t25-,27-,28-;23-,25-,26-;2*25-,26-,27-;24-,25-,26-;23-,24-,25-/m000000/s1
InChIKeyJQZCLRTUVNKQER-KCXPGQRUSA-N
XLogP14.37
TPSA615.67 Ų
H-Bond Donors18
H-Bond Acceptors36
Rotatable Bonds64
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003086.48
LogP ≤ 514.37
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(2-ethoxyethoxy)-5-fluorophenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(3-methylbutoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-3-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide with MolForge

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Related Compounds

(2S)-1-[(2S,4R)-2-hydroxy-5-[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxo-4-(pyridin-2-ylmethyl)pentyl]-4-[(5-phenylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 10122982
(2S)-1-[(2S,4R)-2-benzyl-4-hydroxy-5-[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxopentyl]-4-[[5-(2-ethyl-4-pyridinyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 20598969
N-[2-[[1-[4-(6-ethoxy-3-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(6-fluoro-3-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(1-hydroxy-6-methoxypyridin-1-ium-3-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(5-methoxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-phenylmethoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 157423983
(1R,2S)-2-amino-1-(4-methylphenyl)propan-1-ol;5-[(1R,2S)-2-amino-1-(4-methylphenyl)propoxy]pyridine-2-carbonitrile;tert-butyl (3S)-3-aminopiperidine-1-carboxylate;5-fluoropyridine-2-carbonitrile;methyl 5-[(1R,2S)-2-amino-1-(4-methylphenyl)propoxy]pyridine-2-carboxylate;5-[(1R,2S)-1-(4-methylphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propoxy]pyridine-2-carboxylic acid;2,2,2-trifluoro-N-[(1R,2S)-1-(4-methylphenyl)-1-[[6-[2-[(3R)-piperidin-3-yl]acetyl]-3-pyridinyl]oxy]propan-2-yl]acetamide
CID 157578212
5-[2-[3-(1,1-difluoroethyl)-5-fluorophenoxy]ethyl]-N-(2-methylbutyl)pyridine-2-carboxamide;5-[[2-(1,1-difluoroethyl)phenyl]methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[2-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[(3-fluoro-4-methylphenyl)methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[(3-fluorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[2-[3-fluoro-5-(trifluoromethyl)phenoxy]ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 157907869
tert-butyl (E)-3-pyridin-2-ylprop-2-enoate;(2S)-1-[(2S,4R)-2-hydroxy-5-[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxo-4-(pyridin-2-ylmethyl)pentyl]-4-[(5-phenylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 158012280
CID 158761982
CID 158761982
N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(2-ethoxyethoxy)-5-fluorophenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(3-methylbutoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-3-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide;methane
CID 158963534
N-[(1R,2S)-1-[(3S)-1-benzyl-2-oxopiperidin-3-yl]-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;tert-butyl (2S)-2-[(1S,2S)-2-acetamido-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropyl]-4-benzyl-3-oxopiperazine-1-carboxylate;2,2,2-trifluoroacetaldehyde
CID 159317606
5-[[4-(1,1-difluoroethoxy)phenyl]methoxymethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[[4-(1,1-difluoroethoxy)phenyl]methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[2-[3-(1,1-difluoroethyl)phenoxy]ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[2-[4-(1,1-difluoroethyl)phenoxy]ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[[3-(1,1-difluoroethyl)phenyl]methoxymethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[[4-(1,1-difluoroethyl)phenyl]methoxymethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[[3-(1,1-difluoroethyl)phenyl]methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[[4-(1,1-difluoroethyl)phenyl]methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-(2,2-dimethylpropyl)-5-[2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide
CID 159646765
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(3S,4S)-3-hydroxy-3,4-dihydro-2H-chromen-4-yl]amino]-5-oxopentyl]-4-[1-(5-pyridin-4-ylfuran-2-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;(2S)-4-[1-(5-pyridin-4-ylfuran-2-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 159968098
N-[2-[[1-[4-(6-ethoxy-3-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-(6-fluoro-3-pyridinyl)-4-hydroxycyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(1-hydroxy-6-methoxypyridin-1-ium-3-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(5-methoxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-2-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;N-[2-[[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 160636860

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(2-ethoxyethoxy)-5-fluorophenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(3-methylbutoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-3-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide?
The IUPAC name of N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(2-ethoxyethoxy)-5-fluorophenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(3-methylbutoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-3-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide (CID 158997940) is N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(2-ethoxyethoxy)-5-fluorophenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(3-methylbutoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-3-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(2-ethoxyethoxy)-5-fluorophenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(3-methylbutoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-3-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide?
The canonical SMILES for N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(2-ethoxyethoxy)-5-fluorophenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(3-methylbutoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-3-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide is CC(=O)N[C@@H](Cc1cc(F)cc(OCCC(C)C)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O.CC(=O)N[C@@H](Cc1cc(F)cc(OCc2ccc(C(F)(F)F)o2)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O.CC(=O)N[C@@H](Cc1cc(F)cc(OCc2ccccn2)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O.CC(=O)N[C@@H](Cc1cc(F)cc(OCc2cccnc2)c1)[C@H](O)[C@@H]1NCCN(Cc2ccccc2)C1=O.CCOCCOc1cc(F)cc(C[C@H](NC(C)=O)[C@H](O)[C@@H]2NCCN(Cc3ccccc3)C2=O)c1.COc1ccc(COc2cc(F)cc(C[C@H](NC(C)=O)[C@H](O)[C@@H]3NCCN(Cc4ccccc4)C3=O)c2)cn1.
What is the InChIKey of N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(2-ethoxyethoxy)-5-fluorophenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(3-methylbutoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-3-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide?
The InChIKey is JQZCLRTUVNKQER-KCXPGQRUSA-N. The full InChI is InChI=1S/C29H33FN4O5.C28H29F4N3O5.2C28H31FN4O4.C27H36FN3O4.C26H34FN3O5/c1-19(35)33-25(28(36)27-29(37)34(11-10-31-27)17-20-6-4-3-5-7-20)14-22-12-23(30)15-24(13-22)39-18-21-8-9-26(38-2)32-16-21;1-17(36)34-23(26(37)25-27(38)35(10-9-33-25)15-18-5-3-2-4-6-18)13-19-11-20(29)14-22(12-19)39-16-21-7-8-24(40-21)28(30,31)32;1-19(34)32-25(15-21-13-22(29)16-24(14-21)37-18-23-9-5-6-10-30-23)27(35)26-28(36)33(12-11-31-26)17-20-7-3-2-4-8-20;1-19(34)32-25(14-22-12-23(29)15-24(13-22)37-18-21-8-5-9-30-16-21)27(35)26-28(36)33(11-10-31-26)17-20-6-3-2-4-7-20;1-18(2)9-12-35-23-14-21(13-22(28)16-23)15-24(30-19(3)32)26(33)25-27(34)31(11-10-29-25)17-20-7-5-4-6-8-20;1-3-34-11-12-35-22-14-20(13-21(27)16-22)15-23(29-18(2)31)25(32)24-26(33)30(10-9-28-24)17-19-7-5-4-6-8-19/h3-9,12-13,15-16,25,27-28,31,36H,10-11,14,17-18H2,1-2H3,(H,33,35);2-8,11-12,14,23,25-26,33,37H,9-10,13,15-16H2,1H3,(H,34,36);2-10,13-14,16,25-27,31,35H,11-12,15,17-18H2,1H3,(H,32,34);2-9,12-13,15-16,25-27,31,35H,10-11,14,17-18H2,1H3,(H,32,34);4-8,13-14,16,18,24-26,29,33H,9-12,15,17H2,1-3H3,(H,30,32);4-8,13-14,16,23-25,28,32H,3,9-12,15,17H2,1-2H3,(H,29,31)/t25-,27-,28-;23-,25-,26-;2*25-,26-,27-;24-,25-,26-;23-,24-,25-/m000000/s1.
What are the key properties of N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(2-ethoxyethoxy)-5-fluorophenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(3-methylbutoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-3-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide?
N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(2-ethoxyethoxy)-5-fluorophenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(3-methylbutoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-3-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide has a molecular weight of 3086.48 g/mol, XLogP of 14.37, 64 rotatable bonds, 18 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-(2-ethoxyethoxy)-5-fluorophenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[(6-methoxy-3-pyridinyl)methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(3-methylbutoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-2-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-(pyridin-3-ylmethoxy)phenyl]-1-hydroxypropan-2-yl]acetamide;N-[(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-3-[3-fluoro-5-[[5-(trifluoromethyl)furan-2-yl]methoxy]phenyl]-1-hydroxypropan-2-yl]acetamide is sourced from PubChem (CID 158997940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).