N-[3-[4-[(2-cyclohexyl-2-phenylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-cyclopropyl-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-1-oxido-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide;6-fluoro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propylcarbamoylamino)benzamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-thiophen-2-ylbenzamide

C173H237Cl2FN30O21S7 — CID 162053564

IUPACN-[3-[4-[(2-cyclohexyl-2-phenylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-cyclopropyl-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-1-oxido-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide;6-fluoro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propylcarbamoylamino)benzamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-thiophen-2-ylbenzamide
SMILESCCCNC(=O)Nc1cc(C)c(C(=O)NCC[C@@H](C)N2CCC(N(Cc3ccsc3)C(=O)NOC)CC2)c(C)c1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(-c3cccs3)cc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C3CC3)nc2C)CC1.Cc1cc(Cl)[n+]([O-])c(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN2CCOC2=O)CC1.Cc1cc(F)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN2CCOC2=O)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)C(c2ccccc2)C2CCCCC2)CC1
InChIInChI=1S/C35H47N5O2S.C29H44N6O4S.C29H38N4O3S2.C27H36FN5O4S.C27H39N5O3S.C26H33Cl2N5O5S/c1-25(14-18-36-34(41)32-26(2)37-24-38-27(32)3)39-19-15-31(16-20-39)40(22-28-17-21-43-23-28)35(42)33(29-10-6-4-7-11-29)30-12-8-5-9-13-30;1-6-11-31-28(37)32-24-16-20(2)26(21(3)17-24)27(36)30-12-7-22(4)34-13-8-25(9-14-34)35(29(38)33-39-5)18-23-10-15-40-19-23;1-20-16-24(26-6-5-14-38-26)17-21(2)27(20)28(34)30-11-7-22(3)32-12-8-25(9-13-32)33(29(35)31-36-4)18-23-10-15-37-19-23;1-18-14-23(28)30-20(3)25(18)26(35)29-8-4-19(2)31-9-5-22(6-10-31)33(15-21-7-13-38-17-21)24(34)16-32-11-12-37-27(32)36;1-18-15-24(22-5-6-22)29-20(3)25(18)26(33)28-11-7-19(2)31-12-8-23(9-13-31)32(27(34)30-35-4)16-21-10-14-36-17-21;1-17-13-21(27)33(37)24(28)23(17)25(35)29-7-3-18(2)30-8-4-20(5-9-30)32(14-19-6-12-39-16-19)22(34)15-31-10-11-38-26(31)36/h4,6-7,10-11,17,21,23-25,30-31,33H,5,8-9,12-16,18-20,22H2,1-3H3,(H,36,41);10,15-17,19,22,25H,6-9,11-14,18H2,1-5H3,(H,30,36)(H,33,38)(H2,31,32,37);5-6,10,14-17,19,22,25H,7-9,11-13,18H2,1-4H3,(H,30,34)(H,31,35);7,13-14,17,19,22H,4-6,8-12,15-16H2,1-3H3,(H,29,35);10,14-15,17,19,22-23H,5-9,11-13,16H2,1-4H3,(H,28,33)(H,30,34);6,12-13,16,18,20H,3-5,7-11,14-15H2,1-2H3,(H,29,35)/t;2*22-;2*19-;18-/m.11111/s1
InChIKeyYYWGVPPIPFNSRZ-VVVOTDTASA-N
MW3387.36 g/mol
LogP28.19
Rot. Bonds63

About N-[3-[4-[(2-cyclohexyl-2-phenylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-cyclopropyl-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-1-oxido-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide;6-fluoro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propylcarbamoylamino)benzamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-thiophen-2-ylbenzamide

N-[3-[4-[(2-cyclohexyl-2-phenylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-cyclopropyl-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-1-oxido-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide;6-fluoro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propylcarbamoylamino)benzamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-thiophen-2-ylbenzamide (PubChem CID 162053564) has the molecular formula C173H237Cl2FN30O21S7 and a molecular weight of 3387.36 g/mol. Its IUPAC name is N-[3-[4-[(2-cyclohexyl-2-phenylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-cyclopropyl-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-1-oxido-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide;6-fluoro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propylcarbamoylamino)benzamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-thiophen-2-ylbenzamide.

Molecular Properties

Compound NameN-[3-[4-[(2-cyclohexyl-2-phenylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-cyclopropyl-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-1-oxido-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide;6-fluoro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propylcarbamoylamino)benzamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-thiophen-2-ylbenzamide
PubChem CID162053564
Molecular FormulaC173H237Cl2FN30O21S7
Molecular Weight3387.36 g/mol
Exact Mass3383.58
IUPAC NameN-[3-[4-[(2-cyclohexyl-2-phenylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-cyclopropyl-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-1-oxido-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide;6-fluoro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propylcarbamoylamino)benzamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-thiophen-2-ylbenzamide
SMILESCCCNC(=O)Nc1cc(C)c(C(=O)NCC[C@@H](C)N2CCC(N(Cc3ccsc3)C(=O)NOC)CC2)c(C)c1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(-c3cccs3)cc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C3CC3)nc2C)CC1.Cc1cc(Cl)[n+]([O-])c(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN2CCOC2=O)CC1.Cc1cc(F)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN2CCOC2=O)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)C(c2ccccc2)C2CCCCC2)CC1
InChIInChI=1S/C35H47N5O2S.C29H44N6O4S.C29H38N4O3S2.C27H36FN5O4S.C27H39N5O3S.C26H33Cl2N5O5S/c1-25(14-18-36-34(41)32-26(2)37-24-38-27(32)3)39-19-15-31(16-20-39)40(22-28-17-21-43-23-28)35(42)33(29-10-6-4-7-11-29)30-12-8-5-9-13-30;1-6-11-31-28(37)32-24-16-20(2)26(21(3)17-24)27(36)30-12-7-22(4)34-13-8-25(9-14-34)35(29(38)33-39-5)18-23-10-15-40-19-23;1-20-16-24(26-6-5-14-38-26)17-21(2)27(20)28(34)30-11-7-22(3)32-12-8-25(9-13-32)33(29(35)31-36-4)18-23-10-15-37-19-23;1-18-14-23(28)30-20(3)25(18)26(35)29-8-4-19(2)31-9-5-22(6-10-31)33(15-21-7-13-38-17-21)24(34)16-32-11-12-37-27(32)36;1-18-15-24(22-5-6-22)29-20(3)25(18)26(33)28-11-7-19(2)31-12-8-23(9-13-31)32(27(34)30-35-4)16-21-10-14-36-17-21;1-17-13-21(27)33(37)24(28)23(17)25(35)29-7-3-18(2)30-8-4-20(5-9-30)32(14-19-6-12-39-16-19)22(34)15-31-10-11-38-26(31)36/h4,6-7,10-11,17,21,23-25,30-31,33H,5,8-9,12-16,18-20,22H2,1-3H3,(H,36,41);10,15-17,19,22,25H,6-9,11-14,18H2,1-5H3,(H,30,36)(H,33,38)(H2,31,32,37);5-6,10,14-17,19,22,25H,7-9,11-13,18H2,1-4H3,(H,30,34)(H,31,35);7,13-14,17,19,22H,4-6,8-12,15-16H2,1-3H3,(H,29,35);10,14-15,17,19,22-23H,5-9,11-13,16H2,1-4H3,(H,28,33)(H,30,34);6,12-13,16,18,20H,3-5,7-11,14-15H2,1-2H3,(H,29,35)/t;2*22-;2*19-;18-/m.11111/s1
InChIKeyYYWGVPPIPFNSRZ-VVVOTDTASA-N
XLogP28.19
TPSA558.39 Ų
H-Bond Donors11
H-Bond Acceptors38
Rotatable Bonds63
Heavy Atoms234
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003387.36
LogP ≤ 528.19
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[3-[4-[(2-cyclohexyl-2-phenylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-cyclopropyl-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-1-oxido-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide;6-fluoro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propylcarbamoylamino)benzamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-thiophen-2-ylbenzamide with MolForge

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Related Compounds

6-chloro-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-1-oxidopyridin-1-ium-3-carboxamide;6-chloro-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[(2-cyanoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[thiophen-3-ylmethyl(3,3,3-trifluoropropanoyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(1,2,4-triazol-4-yl)benzamide
CID 158100469
6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[[2-(4-chlorophenyl)sulfanylacetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2-N-cyclopropyl-5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyridine-2,5-dicarboxamide;2,6-dichloro-4-methyl-N-[(3R)-3-[4-[2,2,3,3,3-pentafluoropropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;1-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 159377865
N-[3-[4-[benzylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[3-cyclohexylpropanoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;2,6-dichloro-N-[(3R)-3-[4-[2-hydroxyethylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide;N-[3-[4-[[2-(4,4-difluorocyclohexyl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 160644609
CID 161897561
CID 161897561
6-chloro-N-[(3R)-3-[4-[(2,2-difluoroacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;N-[3-[4-[[2-(4-chlorophenyl)sulfanylacetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-(dimethylaminocarbamoyl)-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;1-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 159022776
N-[3-[4-[benzyl-(2-cyclohexylethanethioyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(1,3-thiazol-4-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-(2-methylpropyl)pyridine-2,5-dicarboxamide;5-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-prop-2-enylpyridine-2,5-dicarboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 159635815
CID 159685287
CID 159685287
N-[3-[4-[(2-cyclohexyl-2-phenylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-cyclopropyl-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-1-oxido-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propylcarbamoylamino)benzamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-thiophen-2-ylbenzamide
CID 159885392
N-[3-[4-[(2-cyclohexyl-2-phenylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-cyclopropyl-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-1-oxido-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propylcarbamoylamino)benzamide
CID 160211126
N-[3-[4-[(2-cyclohexyl-2-phenylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-cyclopropyl-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-1-oxido-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propylcarbamoylamino)benzamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 161499686
6-cyano-N-[(3R)-3-[4-[(2-cyanoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-cyano-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-fluoro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-pyridin-4-ylbenzamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethyl-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 162214846

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2-cyclohexyl-2-phenylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-cyclopropyl-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-1-oxido-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide;6-fluoro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propylcarbamoylamino)benzamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-thiophen-2-ylbenzamide?
The IUPAC name of N-[3-[4-[(2-cyclohexyl-2-phenylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-cyclopropyl-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-1-oxido-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide;6-fluoro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propylcarbamoylamino)benzamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-thiophen-2-ylbenzamide (CID 162053564) is N-[3-[4-[(2-cyclohexyl-2-phenylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-cyclopropyl-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-1-oxido-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide;6-fluoro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propylcarbamoylamino)benzamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-thiophen-2-ylbenzamide.
What is the SMILES notation for N-[3-[4-[(2-cyclohexyl-2-phenylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-cyclopropyl-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-1-oxido-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide;6-fluoro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propylcarbamoylamino)benzamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-thiophen-2-ylbenzamide?
The canonical SMILES for N-[3-[4-[(2-cyclohexyl-2-phenylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-cyclopropyl-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-1-oxido-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide;6-fluoro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propylcarbamoylamino)benzamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-thiophen-2-ylbenzamide is CCCNC(=O)Nc1cc(C)c(C(=O)NCC[C@@H](C)N2CCC(N(Cc3ccsc3)C(=O)NOC)CC2)c(C)c1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(-c3cccs3)cc2C)CC1.CONC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCNC(=O)c2c(C)cc(C3CC3)nc2C)CC1.Cc1cc(Cl)[n+]([O-])c(Cl)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN2CCOC2=O)CC1.Cc1cc(F)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N(Cc2ccsc2)C(=O)CN2CCOC2=O)CC1.Cc1ncnc(C)c1C(=O)NCCC(C)N1CCC(N(Cc2ccsc2)C(=O)C(c2ccccc2)C2CCCCC2)CC1.
What is the InChIKey of N-[3-[4-[(2-cyclohexyl-2-phenylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-cyclopropyl-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-1-oxido-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide;6-fluoro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propylcarbamoylamino)benzamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-thiophen-2-ylbenzamide?
The InChIKey is YYWGVPPIPFNSRZ-VVVOTDTASA-N. The full InChI is InChI=1S/C35H47N5O2S.C29H44N6O4S.C29H38N4O3S2.C27H36FN5O4S.C27H39N5O3S.C26H33Cl2N5O5S/c1-25(14-18-36-34(41)32-26(2)37-24-38-27(32)3)39-19-15-31(16-20-39)40(22-28-17-21-43-23-28)35(42)33(29-10-6-4-7-11-29)30-12-8-5-9-13-30;1-6-11-31-28(37)32-24-16-20(2)26(21(3)17-24)27(36)30-12-7-22(4)34-13-8-25(9-14-34)35(29(38)33-39-5)18-23-10-15-40-19-23;1-20-16-24(26-6-5-14-38-26)17-21(2)27(20)28(34)30-11-7-22(3)32-12-8-25(9-13-32)33(29(35)31-36-4)18-23-10-15-37-19-23;1-18-14-23(28)30-20(3)25(18)26(35)29-8-4-19(2)31-9-5-22(6-10-31)33(15-21-7-13-38-17-21)24(34)16-32-11-12-37-27(32)36;1-18-15-24(22-5-6-22)29-20(3)25(18)26(33)28-11-7-19(2)31-12-8-23(9-13-31)32(27(34)30-35-4)16-21-10-14-36-17-21;1-17-13-21(27)33(37)24(28)23(17)25(35)29-7-3-18(2)30-8-4-20(5-9-30)32(14-19-6-12-39-16-19)22(34)15-31-10-11-38-26(31)36/h4,6-7,10-11,17,21,23-25,30-31,33H,5,8-9,12-16,18-20,22H2,1-3H3,(H,36,41);10,15-17,19,22,25H,6-9,11-14,18H2,1-5H3,(H,30,36)(H,33,38)(H2,31,32,37);5-6,10,14-17,19,22,25H,7-9,11-13,18H2,1-4H3,(H,30,34)(H,31,35);7,13-14,17,19,22H,4-6,8-12,15-16H2,1-3H3,(H,29,35);10,14-15,17,19,22-23H,5-9,11-13,16H2,1-4H3,(H,28,33)(H,30,34);6,12-13,16,18,20H,3-5,7-11,14-15H2,1-2H3,(H,29,35)/t;2*22-;2*19-;18-/m.11111/s1.
What are the key properties of N-[3-[4-[(2-cyclohexyl-2-phenylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-cyclopropyl-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-1-oxido-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide;6-fluoro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propylcarbamoylamino)benzamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-thiophen-2-ylbenzamide?
N-[3-[4-[(2-cyclohexyl-2-phenylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-cyclopropyl-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-1-oxido-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide;6-fluoro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propylcarbamoylamino)benzamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-thiophen-2-ylbenzamide has a molecular weight of 3387.36 g/mol, XLogP of 28.19, 63 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2-cyclohexyl-2-phenylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide;6-cyclopropyl-N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;2,6-dichloro-4-methyl-1-oxido-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridin-1-ium-3-carboxamide;6-fluoro-2,4-dimethyl-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-(propylcarbamoylamino)benzamide;N-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-thiophen-2-ylbenzamide is sourced from PubChem (CID 162053564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).