4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(1R,2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(1S,2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide

C271H273F6N37O20 — CID 167708676

IUPAC4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(1R,2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(1S,2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1ccc(Oc2cccc(C=C3CCN(C(=O)NC4CC4c4ccccc4)CC3)c2)nn1.Cc1cccc(Oc2cccc(C=C3CCN(C(=O)NC4CC4c4ccccc4)CC3)c2)n1.Cc1cnc(Oc2cccc(C=C3CCN(C(=O)NC4C[C@@H]4c4ccccc4)CC3)c2)cn1.Cc1cnc(Oc2cccc(C=C3CCN(C(=O)NC4C[C@@H]4c4ccccc4)CC3)c2)nc1.Cc1cnc(Oc2cccc(C=C3CCN(C(=O)NC4C[C@H]4c4ccccc4)CC3)c2)cn1.Cc1cnc(Oc2cccc(C=C3CCN(C(=O)NC4C[C@H]4c4ccccc4)CC3)c2)nc1.O=C(NC1C[C@@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ncccn3)c2)CC1.O=C(NC1C[C@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ncccn3)c2)CC1.O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
InChIInChI=1S/2C28H26F3N3O2.C28H29N3O2.5C27H28N4O2.2C26H26N4O2/c2*29-28(30,31)22-9-10-26(32-18-22)36-23-8-4-5-20(16-23)15-19-11-13-34(14-12-19)27(35)33-25-17-24(25)21-6-2-1-3-7-21;1-20-7-5-12-27(29-20)33-24-11-6-8-22(18-24)17-21-13-15-31(16-14-21)28(32)30-26-19-25(26)23-9-3-2-4-10-23;2*1-19-17-29-26(18-28-19)33-23-9-5-6-21(15-23)14-20-10-12-31(13-11-20)27(32)30-25-16-24(25)22-7-3-2-4-8-22;2*1-19-17-28-26(29-18-19)33-23-9-5-6-21(15-23)14-20-10-12-31(13-11-20)27(32)30-25-16-24(25)22-7-3-2-4-8-22;1-19-10-11-26(30-29-19)33-23-9-5-6-21(17-23)16-20-12-14-31(15-13-20)27(32)28-25-18-24(25)22-7-3-2-4-8-22;2*31-26(29-24-18-23(24)21-7-2-1-3-8-21)30-14-10-19(11-15-30)16-20-6-4-9-22(17-20)32-25-27-12-5-13-28-25/h2*1-10,15-16,18,24-25H,11-14,17H2,(H,33,35);2-12,17-18,25-26H,13-16,19H2,1H3,(H,30,32);4*2-9,14-15,17-18,24-25H,10-13,16H2,1H3,(H,30,32);2-11,16-17,24-25H,12-15,18H2,1H3,(H,28,32);2*1-9,12-13,16-17,23-24H,10-11,14-15,18H2,(H,29,31)/t2*24-,25+;;4*24-,25?;;2*23-,24?/m10.1010.10/s1
InChIKeyZMLPVNMQKIXLTP-SUYMKZJKSA-N
MW4482.39 g/mol
LogP55.84
Rot. Bonds50

About 4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(1R,2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(1S,2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide

4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(1R,2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(1S,2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (PubChem CID 167708676) has the molecular formula C271H273F6N37O20 and a molecular weight of 4482.39 g/mol. Its IUPAC name is 4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(1R,2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(1S,2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(1R,2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(1S,2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
PubChem CID167708676
Molecular FormulaC271H273F6N37O20
Molecular Weight4482.39 g/mol
Exact Mass4479.14
IUPAC Name4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(1R,2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(1S,2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1ccc(Oc2cccc(C=C3CCN(C(=O)NC4CC4c4ccccc4)CC3)c2)nn1.Cc1cccc(Oc2cccc(C=C3CCN(C(=O)NC4CC4c4ccccc4)CC3)c2)n1.Cc1cnc(Oc2cccc(C=C3CCN(C(=O)NC4C[C@@H]4c4ccccc4)CC3)c2)cn1.Cc1cnc(Oc2cccc(C=C3CCN(C(=O)NC4C[C@@H]4c4ccccc4)CC3)c2)nc1.Cc1cnc(Oc2cccc(C=C3CCN(C(=O)NC4C[C@H]4c4ccccc4)CC3)c2)cn1.Cc1cnc(Oc2cccc(C=C3CCN(C(=O)NC4C[C@H]4c4ccccc4)CC3)c2)nc1.O=C(NC1C[C@@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ncccn3)c2)CC1.O=C(NC1C[C@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ncccn3)c2)CC1.O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1
InChIInChI=1S/2C28H26F3N3O2.C28H29N3O2.5C27H28N4O2.2C26H26N4O2/c2*29-28(30,31)22-9-10-26(32-18-22)36-23-8-4-5-20(16-23)15-19-11-13-34(14-12-19)27(35)33-25-17-24(25)21-6-2-1-3-7-21;1-20-7-5-12-27(29-20)33-24-11-6-8-22(18-24)17-21-13-15-31(16-14-21)28(32)30-26-19-25(26)23-9-3-2-4-10-23;2*1-19-17-29-26(18-28-19)33-23-9-5-6-21(15-23)14-20-10-12-31(13-11-20)27(32)30-25-16-24(25)22-7-3-2-4-8-22;2*1-19-17-28-26(29-18-19)33-23-9-5-6-21(15-23)14-20-10-12-31(13-11-20)27(32)30-25-16-24(25)22-7-3-2-4-8-22;1-19-10-11-26(30-29-19)33-23-9-5-6-21(17-23)16-20-12-14-31(15-13-20)27(32)28-25-18-24(25)22-7-3-2-4-8-22;2*31-26(29-24-18-23(24)21-7-2-1-3-8-21)30-14-10-19(11-15-30)16-20-6-4-9-22(17-20)32-25-27-12-5-13-28-25/h2*1-10,15-16,18,24-25H,11-14,17H2,(H,33,35);2-12,17-18,25-26H,13-16,19H2,1H3,(H,30,32);4*2-9,14-15,17-18,24-25H,10-13,16H2,1H3,(H,30,32);2-11,16-17,24-25H,12-15,18H2,1H3,(H,28,32);2*1-9,12-13,16-17,23-24H,10-11,14-15,18H2,(H,29,31)/t2*24-,25+;;4*24-,25?;;2*23-,24?/m10.1010.10/s1
InChIKeyZMLPVNMQKIXLTP-SUYMKZJKSA-N
XLogP55.84
TPSA634.83 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds50
Heavy Atoms334
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004482.39
LogP ≤ 555.84
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Analyze 4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(1R,2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(1S,2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(1R,2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(1S,2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The IUPAC name of 4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(1R,2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(1S,2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (CID 167708676) is 4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(1R,2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(1S,2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.
What is the SMILES notation for 4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(1R,2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(1S,2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The canonical SMILES for 4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(1R,2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(1S,2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is Cc1ccc(Oc2cccc(C=C3CCN(C(=O)NC4CC4c4ccccc4)CC3)c2)nn1.Cc1cccc(Oc2cccc(C=C3CCN(C(=O)NC4CC4c4ccccc4)CC3)c2)n1.Cc1cnc(Oc2cccc(C=C3CCN(C(=O)NC4C[C@@H]4c4ccccc4)CC3)c2)cn1.Cc1cnc(Oc2cccc(C=C3CCN(C(=O)NC4C[C@@H]4c4ccccc4)CC3)c2)nc1.Cc1cnc(Oc2cccc(C=C3CCN(C(=O)NC4C[C@H]4c4ccccc4)CC3)c2)cn1.Cc1cnc(Oc2cccc(C=C3CCN(C(=O)NC4C[C@H]4c4ccccc4)CC3)c2)nc1.O=C(NC1C[C@@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ncccn3)c2)CC1.O=C(NC1C[C@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ncccn3)c2)CC1.O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1.
What is the InChIKey of 4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(1R,2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(1S,2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The InChIKey is ZMLPVNMQKIXLTP-SUYMKZJKSA-N. The full InChI is InChI=1S/2C28H26F3N3O2.C28H29N3O2.5C27H28N4O2.2C26H26N4O2/c2*29-28(30,31)22-9-10-26(32-18-22)36-23-8-4-5-20(16-23)15-19-11-13-34(14-12-19)27(35)33-25-17-24(25)21-6-2-1-3-7-21;1-20-7-5-12-27(29-20)33-24-11-6-8-22(18-24)17-21-13-15-31(16-14-21)28(32)30-26-19-25(26)23-9-3-2-4-10-23;2*1-19-17-29-26(18-28-19)33-23-9-5-6-21(15-23)14-20-10-12-31(13-11-20)27(32)30-25-16-24(25)22-7-3-2-4-8-22;2*1-19-17-28-26(29-18-19)33-23-9-5-6-21(15-23)14-20-10-12-31(13-11-20)27(32)30-25-16-24(25)22-7-3-2-4-8-22;1-19-10-11-26(30-29-19)33-23-9-5-6-21(17-23)16-20-12-14-31(15-13-20)27(32)28-25-18-24(25)22-7-3-2-4-8-22;2*31-26(29-24-18-23(24)21-7-2-1-3-8-21)30-14-10-19(11-15-30)16-20-6-4-9-22(17-20)32-25-27-12-5-13-28-25/h2*1-10,15-16,18,24-25H,11-14,17H2,(H,33,35);2-12,17-18,25-26H,13-16,19H2,1H3,(H,30,32);4*2-9,14-15,17-18,24-25H,10-13,16H2,1H3,(H,30,32);2-11,16-17,24-25H,12-15,18H2,1H3,(H,28,32);2*1-9,12-13,16-17,23-24H,10-11,14-15,18H2,(H,29,31)/t2*24-,25+;;4*24-,25?;;2*23-,24?/m10.1010.10/s1.
What are the key properties of 4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(1R,2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(1S,2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(1R,2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(1S,2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide has a molecular weight of 4482.39 g/mol, XLogP of 55.84, 50 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrazin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(6-methylpyridazin-3-yl)oxyphenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-[(6-methyl-2-pyridinyl)oxy]phenyl]methylidene]-N-(2-phenylcyclopropyl)piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2S)-2-phenylcyclopropyl]piperidine-1-carboxamide;4-[[3-(5-methylpyrimidin-2-yl)oxyphenyl]methylidene]-N-[(2R)-2-phenylcyclopropyl]piperidine-1-carboxamide;N-[(2S)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(2R)-2-phenylcyclopropyl]-4-[(3-pyrimidin-2-yloxyphenyl)methylidene]piperidine-1-carboxamide;N-[(1R,2S)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;N-[(1S,2R)-2-phenylcyclopropyl]-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 167708676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).