1-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-4-(4,4-dimethylpent-2-ynyl)piperazine;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[3-[5-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-2-pyridinyl]propyl]piperazine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]piperidine;2-[3-(3,3-dimethylbut-1-ynoxy)propyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;methane;3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethoxy]propyl]-1-propan-2-ylazetidine;1-[(2-methylpropan-2-yl)oxy]-3-[[3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]cyclobutyl]methoxy]cyclobutane

C199H362F3N13O24 — CID 158116426

IUPAC1-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-4-(4,4-dimethylpent-2-ynyl)piperazine;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[3-[5-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-2-pyridinyl]propyl]piperazine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]piperidine;2-[3-(3,3-dimethylbut-1-ynoxy)propyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;methane;3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethoxy]propyl]-1-propan-2-ylazetidine;1-[(2-methylpropan-2-yl)oxy]-3-[[3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]cyclobutyl]methoxy]cyclobutane
SMILESC.CC(C)(C)C#CCN1CCN(CCCOC2CN(C(C)(C)C)C2)CC1.CC(C)(C)C#COCCCc1ccc(OC2CC(OC(C)(C)C)C2)cn1.CC(C)(C)OC1CC(Cc2ccc(CCCN3CCN(C(C)(C)C)CC3)nc2)C1.CC(C)(C)OC1CC(OCC2(COCCCOC3CN(C(C)(C)C)C3)COC2)C1.CC(C)(C)OCCCCCCCCCCCC1CCN(C(C)(C)C)CC1.CC(C)(C)OCCCOc1ccc(CCCOC2CN(C(C)(C)C)C2)nc1.CC(C)(C)OCCOCC#CC1CC(COC2CC(OC(C)(C)C)C2)C1.CC(C)(C)OCCOCCOC(CC1CCN(C(C)(C)C)CC1)C(F)(F)F.CC(CC1CN(C(C)C)C1)OCCOC1CC(OC(C)(C)C)C1
InChIInChI=1S/C25H43N3O.C24H49NO.C23H43NO5.C22H38N2O3.C22H33NO3.C22H38O4.C21H39N3O.C20H38F3NO3.C19H37NO3.CH4/c1-24(2,3)28-14-12-27(13-15-28)11-7-8-22-10-9-20(19-26-22)16-21-17-23(18-21)29-25(4,5)6;1-23(2,3)25-19-17-22(18-20-25)16-14-12-10-8-7-9-11-13-15-21-26-24(4,5)6;1-21(2,3)24-12-20(13-24)27-9-7-8-25-14-23(15-26-16-23)17-28-18-10-19(11-18)29-22(4,5)6;1-21(2,3)24-16-20(17-24)26-12-7-9-18-10-11-19(15-23-18)25-13-8-14-27-22(4,5)6;1-21(2,3)11-13-24-12-7-8-17-9-10-18(16-23-17)25-19-14-20(15-19)26-22(4,5)6;1-21(2,3)25-11-10-23-9-7-8-17-12-18(13-17)16-24-19-14-20(15-19)26-22(4,5)6;1-20(2,3)9-7-10-22-12-14-23(15-13-22)11-8-16-25-19-17-24(18-19)21(4,5)6;1-18(2,3)24-9-7-16(8-10-24)15-17(20(21,22)23)26-13-11-25-12-14-27-19(4,5)6;1-14(2)20-12-16(13-20)9-15(3)21-7-8-22-17-10-18(11-17)23-19(4,5)6;/h9-10,19,21,23H,7-8,11-18H2,1-6H3;22H,7-21H2,1-6H3;18-20H,7-17H2,1-6H3;10-11,15,20H,7-9,12-14,16-17H2,1-6H3;9-10,16,19-20H,7-8,12,14-15H2,1-6H3;17-20H,9-16H2,1-6H3;19H,8,10-18H2,1-6H3;16-17H,7-15H2,1-6H3;14-18H,7-13H2,1-6H3;1H4
InChIKeyFRBHZZDQSJFSHB-UHFFFAOYSA-N
MW3378.15 g/mol
LogP39.45
Rot. Bonds79

About 1-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-4-(4,4-dimethylpent-2-ynyl)piperazine;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[3-[5-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-2-pyridinyl]propyl]piperazine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]piperidine;2-[3-(3,3-dimethylbut-1-ynoxy)propyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;methane;3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethoxy]propyl]-1-propan-2-ylazetidine;1-[(2-methylpropan-2-yl)oxy]-3-[[3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]cyclobutyl]methoxy]cyclobutane

1-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-4-(4,4-dimethylpent-2-ynyl)piperazine;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[3-[5-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-2-pyridinyl]propyl]piperazine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]piperidine;2-[3-(3,3-dimethylbut-1-ynoxy)propyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;methane;3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethoxy]propyl]-1-propan-2-ylazetidine;1-[(2-methylpropan-2-yl)oxy]-3-[[3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]cyclobutyl]methoxy]cyclobutane (PubChem CID 158116426) has the molecular formula C199H362F3N13O24 and a molecular weight of 3378.15 g/mol. Its IUPAC name is 1-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-4-(4,4-dimethylpent-2-ynyl)piperazine;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[3-[5-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-2-pyridinyl]propyl]piperazine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]piperidine;2-[3-(3,3-dimethylbut-1-ynoxy)propyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;methane;3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethoxy]propyl]-1-propan-2-ylazetidine;1-[(2-methylpropan-2-yl)oxy]-3-[[3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]cyclobutyl]methoxy]cyclobutane.

Molecular Properties

Compound Name1-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-4-(4,4-dimethylpent-2-ynyl)piperazine;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[3-[5-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-2-pyridinyl]propyl]piperazine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]piperidine;2-[3-(3,3-dimethylbut-1-ynoxy)propyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;methane;3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethoxy]propyl]-1-propan-2-ylazetidine;1-[(2-methylpropan-2-yl)oxy]-3-[[3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]cyclobutyl]methoxy]cyclobutane
PubChem CID158116426
Molecular FormulaC199H362F3N13O24
Molecular Weight3378.15 g/mol
Exact Mass3375.75
IUPAC Name1-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-4-(4,4-dimethylpent-2-ynyl)piperazine;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[3-[5-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-2-pyridinyl]propyl]piperazine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]piperidine;2-[3-(3,3-dimethylbut-1-ynoxy)propyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;methane;3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethoxy]propyl]-1-propan-2-ylazetidine;1-[(2-methylpropan-2-yl)oxy]-3-[[3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]cyclobutyl]methoxy]cyclobutane
SMILESC.CC(C)(C)C#CCN1CCN(CCCOC2CN(C(C)(C)C)C2)CC1.CC(C)(C)C#COCCCc1ccc(OC2CC(OC(C)(C)C)C2)cn1.CC(C)(C)OC1CC(Cc2ccc(CCCN3CCN(C(C)(C)C)CC3)nc2)C1.CC(C)(C)OC1CC(OCC2(COCCCOC3CN(C(C)(C)C)C3)COC2)C1.CC(C)(C)OCCCCCCCCCCCC1CCN(C(C)(C)C)CC1.CC(C)(C)OCCCOc1ccc(CCCOC2CN(C(C)(C)C)C2)nc1.CC(C)(C)OCCOCC#CC1CC(COC2CC(OC(C)(C)C)C2)C1.CC(C)(C)OCCOCCOC(CC1CCN(C(C)(C)C)CC1)C(F)(F)F.CC(CC1CN(C(C)C)C1)OCCOC1CC(OC(C)(C)C)C1
InChIInChI=1S/C25H43N3O.C24H49NO.C23H43NO5.C22H38N2O3.C22H33NO3.C22H38O4.C21H39N3O.C20H38F3NO3.C19H37NO3.CH4/c1-24(2,3)28-14-12-27(13-15-28)11-7-8-22-10-9-20(19-26-22)16-21-17-23(18-21)29-25(4,5)6;1-23(2,3)25-19-17-22(18-20-25)16-14-12-10-8-7-9-11-13-15-21-26-24(4,5)6;1-21(2,3)24-12-20(13-24)27-9-7-8-25-14-23(15-26-16-23)17-28-18-10-19(11-18)29-22(4,5)6;1-21(2,3)24-16-20(17-24)26-12-7-9-18-10-11-19(15-23-18)25-13-8-14-27-22(4,5)6;1-21(2,3)11-13-24-12-7-8-17-9-10-18(16-23-17)25-19-14-20(15-19)26-22(4,5)6;1-21(2,3)25-11-10-23-9-7-8-17-12-18(13-17)16-24-19-14-20(15-19)26-22(4,5)6;1-20(2,3)9-7-10-22-12-14-23(15-13-22)11-8-16-25-19-17-24(18-19)21(4,5)6;1-18(2,3)24-9-7-16(8-10-24)15-17(20(21,22)23)26-13-11-25-12-14-27-19(4,5)6;1-14(2)20-12-16(13-20)9-15(3)21-7-8-22-17-10-18(11-17)23-19(4,5)6;/h9-10,19,21,23H,7-8,11-18H2,1-6H3;22H,7-21H2,1-6H3;18-20H,7-17H2,1-6H3;10-11,15,20H,7-9,12-14,16-17H2,1-6H3;9-10,16,19-20H,7-8,12,14-15H2,1-6H3;17-20H,9-16H2,1-6H3;19H,8,10-18H2,1-6H3;16-17H,7-15H2,1-6H3;14-18H,7-13H2,1-6H3;1H4
InChIKeyFRBHZZDQSJFSHB-UHFFFAOYSA-N
XLogP39.45
TPSA292.59 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds79
Heavy Atoms239
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003378.15
LogP ≤ 539.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 1-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-4-(4,4-dimethylpent-2-ynyl)piperazine;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[3-[5-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-2-pyridinyl]propyl]piperazine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]piperidine;2-[3-(3,3-dimethylbut-1-ynoxy)propyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;methane;3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethoxy]propyl]-1-propan-2-ylazetidine;1-[(2-methylpropan-2-yl)oxy]-3-[[3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]cyclobutyl]methoxy]cyclobutane with MolForge

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Related Compounds

1-[3-(1-Tert-butylazetidin-3-yl)oxypropyl]-4-(4,4-dimethylpent-2-ynyl)piperazine;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethoxy]propyl]azetidine;1-tert-butyl-3-[2-[3-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]cyclobutyl]ethoxy]azetidine;1-tert-butyl-3-[2-[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]cyclobutyl]oxyethoxy]azetidine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-4-[3-[5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-pyridinyl]propyl]piperazine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]piperidine
CID 157062366
CID 157116443
CID 157116443
CID 157172814
CID 157172814
1-Tert-butyl-4-[6-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyhexyl]piperazine;1-tert-butyl-3-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentoxy]azetidine;1-tert-butyl-4-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[5-[(2-methylpropan-2-yl)oxy]pentoxy]ethoxy]propyl]piperidine;3,3-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;1-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethyl]-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[5-[(2-methylpropan-2-yl)oxy]pent-1-ynyl]pyridine;1-[(2-methylpropan-2-yl)oxy]-3-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentoxy]cyclobutane;3-[(2-methylpropan-2-yl)oxy]-1-[5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]pentyl]azetidine
CID 157195413
CID 157253329
CID 157253329
2-[4-(1-Tert-butylazetidin-3-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyrazine;2-[3,3-difluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-isocyano-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-(3-propan-2-yloxypropoxy)but-1-ynyl]pyridine;bis(2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-(3-propan-2-yloxypropoxy)but-1-ynyl]pyridine);bis(4-methyl-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[4-(3-propan-2-yloxypropoxy)but-1-ynyl]pyridine);2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]pyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[(2-methylpropan-2-yl)oxy]propan-2-yloxy]prop-1-ynyl]pyridine
CID 157420795
CID 157472695
CID 157472695
CID 157492010
CID 157492010
1-tert-butyl-4-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]phenyl]piperazine;bis(1-tert-butyl-4-[3-[[5-(3,3-dimethylbutyl)-2-pyridinyl]oxy]propyl]piperazine);bis(1-tert-butyl-4-[3-[[5-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]oxy]propyl]piperazine);N-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;5-(3,3-dimethylbutyl)-2-[(2-methylpropan-2-yl)oxy]pyridine;5-ethyl-2-propan-2-yloxypyridine;2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]propan-2-amine;2-methyl-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine;2-methylpropane;2-methyl-2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]piperazine
CID 157502285
2-[4-(1-Tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2-[3,3-difluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;bis(2-methyl-3-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-6-[4-[3-[(2-methylpropan-2-yl)oxy]propoxy]but-1-ynyl]pyridine);2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[3-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]oxyprop-1-ynyl]pyridine
CID 157514122
2-Tert-butyl-6-[2,2-difluoro-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentyl]-2,6-diazaspiro[3.3]heptane;2-[4-(1-tert-butylpiperidin-4-yl)oxybut-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;2,2-difluoro-3,3-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]butane;1-[2,2-difluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine;1-[2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]pentyl]-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidine;2-[4-(2,2-dimethylpropoxy)but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;4-isocyano-2-[3-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-1-ynyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxy-2-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclopropyl]ethynyl]pyridine
CID 157533116
CID 157562360
CID 157562360

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-4-(4,4-dimethylpent-2-ynyl)piperazine;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[3-[5-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-2-pyridinyl]propyl]piperazine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]piperidine;2-[3-(3,3-dimethylbut-1-ynoxy)propyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;methane;3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethoxy]propyl]-1-propan-2-ylazetidine;1-[(2-methylpropan-2-yl)oxy]-3-[[3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]cyclobutyl]methoxy]cyclobutane?
The IUPAC name of 1-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-4-(4,4-dimethylpent-2-ynyl)piperazine;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[3-[5-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-2-pyridinyl]propyl]piperazine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]piperidine;2-[3-(3,3-dimethylbut-1-ynoxy)propyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;methane;3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethoxy]propyl]-1-propan-2-ylazetidine;1-[(2-methylpropan-2-yl)oxy]-3-[[3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]cyclobutyl]methoxy]cyclobutane (CID 158116426) is 1-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-4-(4,4-dimethylpent-2-ynyl)piperazine;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[3-[5-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-2-pyridinyl]propyl]piperazine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]piperidine;2-[3-(3,3-dimethylbut-1-ynoxy)propyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;methane;3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethoxy]propyl]-1-propan-2-ylazetidine;1-[(2-methylpropan-2-yl)oxy]-3-[[3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]cyclobutyl]methoxy]cyclobutane.
What is the SMILES notation for 1-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-4-(4,4-dimethylpent-2-ynyl)piperazine;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[3-[5-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-2-pyridinyl]propyl]piperazine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]piperidine;2-[3-(3,3-dimethylbut-1-ynoxy)propyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;methane;3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethoxy]propyl]-1-propan-2-ylazetidine;1-[(2-methylpropan-2-yl)oxy]-3-[[3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]cyclobutyl]methoxy]cyclobutane?
The canonical SMILES for 1-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-4-(4,4-dimethylpent-2-ynyl)piperazine;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[3-[5-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-2-pyridinyl]propyl]piperazine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]piperidine;2-[3-(3,3-dimethylbut-1-ynoxy)propyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;methane;3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethoxy]propyl]-1-propan-2-ylazetidine;1-[(2-methylpropan-2-yl)oxy]-3-[[3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]cyclobutyl]methoxy]cyclobutane is C.CC(C)(C)C#CCN1CCN(CCCOC2CN(C(C)(C)C)C2)CC1.CC(C)(C)C#COCCCc1ccc(OC2CC(OC(C)(C)C)C2)cn1.CC(C)(C)OC1CC(Cc2ccc(CCCN3CCN(C(C)(C)C)CC3)nc2)C1.CC(C)(C)OC1CC(OCC2(COCCCOC3CN(C(C)(C)C)C3)COC2)C1.CC(C)(C)OCCCCCCCCCCCC1CCN(C(C)(C)C)CC1.CC(C)(C)OCCCOc1ccc(CCCOC2CN(C(C)(C)C)C2)nc1.CC(C)(C)OCCOCC#CC1CC(COC2CC(OC(C)(C)C)C2)C1.CC(C)(C)OCCOCCOC(CC1CCN(C(C)(C)C)CC1)C(F)(F)F.CC(CC1CN(C(C)C)C1)OCCOC1CC(OC(C)(C)C)C1.
What is the InChIKey of 1-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-4-(4,4-dimethylpent-2-ynyl)piperazine;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[3-[5-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-2-pyridinyl]propyl]piperazine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]piperidine;2-[3-(3,3-dimethylbut-1-ynoxy)propyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;methane;3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethoxy]propyl]-1-propan-2-ylazetidine;1-[(2-methylpropan-2-yl)oxy]-3-[[3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]cyclobutyl]methoxy]cyclobutane?
The InChIKey is FRBHZZDQSJFSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N3O.C24H49NO.C23H43NO5.C22H38N2O3.C22H33NO3.C22H38O4.C21H39N3O.C20H38F3NO3.C19H37NO3.CH4/c1-24(2,3)28-14-12-27(13-15-28)11-7-8-22-10-9-20(19-26-22)16-21-17-23(18-21)29-25(4,5)6;1-23(2,3)25-19-17-22(18-20-25)16-14-12-10-8-7-9-11-13-15-21-26-24(4,5)6;1-21(2,3)24-12-20(13-24)27-9-7-8-25-14-23(15-26-16-23)17-28-18-10-19(11-18)29-22(4,5)6;1-21(2,3)24-16-20(17-24)26-12-7-9-18-10-11-19(15-23-18)25-13-8-14-27-22(4,5)6;1-21(2,3)11-13-24-12-7-8-17-9-10-18(16-23-17)25-19-14-20(15-19)26-22(4,5)6;1-21(2,3)25-11-10-23-9-7-8-17-12-18(13-17)16-24-19-14-20(15-19)26-22(4,5)6;1-20(2,3)9-7-10-22-12-14-23(15-13-22)11-8-16-25-19-17-24(18-19)21(4,5)6;1-18(2,3)24-9-7-16(8-10-24)15-17(20(21,22)23)26-13-11-25-12-14-27-19(4,5)6;1-14(2)20-12-16(13-20)9-15(3)21-7-8-22-17-10-18(11-17)23-19(4,5)6;/h9-10,19,21,23H,7-8,11-18H2,1-6H3;22H,7-21H2,1-6H3;18-20H,7-17H2,1-6H3;10-11,15,20H,7-9,12-14,16-17H2,1-6H3;9-10,16,19-20H,7-8,12,14-15H2,1-6H3;17-20H,9-16H2,1-6H3;19H,8,10-18H2,1-6H3;16-17H,7-15H2,1-6H3;14-18H,7-13H2,1-6H3;1H4.
What are the key properties of 1-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-4-(4,4-dimethylpent-2-ynyl)piperazine;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[3-[5-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-2-pyridinyl]propyl]piperazine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]piperidine;2-[3-(3,3-dimethylbut-1-ynoxy)propyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;methane;3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethoxy]propyl]-1-propan-2-ylazetidine;1-[(2-methylpropan-2-yl)oxy]-3-[[3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]cyclobutyl]methoxy]cyclobutane?
1-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-4-(4,4-dimethylpent-2-ynyl)piperazine;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[3-[5-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-2-pyridinyl]propyl]piperazine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]piperidine;2-[3-(3,3-dimethylbut-1-ynoxy)propyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;methane;3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethoxy]propyl]-1-propan-2-ylazetidine;1-[(2-methylpropan-2-yl)oxy]-3-[[3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]cyclobutyl]methoxy]cyclobutane has a molecular weight of 3378.15 g/mol, XLogP of 39.45, 79 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-4-(4,4-dimethylpent-2-ynyl)piperazine;2-[3-(1-tert-butylazetidin-3-yl)oxypropyl]-5-[3-[(2-methylpropan-2-yl)oxy]propoxy]pyridine;1-tert-butyl-4-[3-[5-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]methyl]-2-pyridinyl]propyl]piperazine;1-tert-butyl-3-[3-[[3-[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxymethyl]oxetan-3-yl]methoxy]propoxy]azetidine;1-tert-butyl-4-[11-[(2-methylpropan-2-yl)oxy]undecyl]piperidine;1-tert-butyl-4-[3,3,3-trifluoro-2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propyl]piperidine;2-[3-(3,3-dimethylbut-1-ynoxy)propyl]-5-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypyridine;methane;3-[2-[2-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxyethoxy]propyl]-1-propan-2-ylazetidine;1-[(2-methylpropan-2-yl)oxy]-3-[[3-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]prop-1-ynyl]cyclobutyl]methoxy]cyclobutane is sourced from PubChem (CID 158116426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).