(3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;1-tert-butyl-4-(2-tert-butylsulfanylethyl)piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine

C279H550N42O11S2 — CID 161447608

IUPAC(3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;1-tert-butyl-4-(2-tert-butylsulfanylethyl)piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine
SMILESCC(C)(C)C1CCN(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCCC1CCN(C(C)(C)C)CC1.CC(C)(C)CCCCN1C[C@@H]2C[C@H]1CN2C(C)(C)C.CC(C)(C)N1CCC(CN2CCC3(CC2)CN(C(C)(C)C)C3)CC1.CC(C)(C)N1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)OC1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)OCCCN1CC2(CC(N3CCN(C(C)(C)C)CC3)C2)C1.CC(C)(C)OCCCN1CCOC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCCN1C[C@@]2(C)CN(C(C)(C)C)C[C@@]2(C)C1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(c2ccc(C(C)(C)C)cn2)CC1.CC(C)(C)OCCN1CCN(c2cnc(C(C)(C)C)cn2)CC1.CC(C)(C)SCCN1CCN(C(C)(C)C)CC1.CC(C)(C)c1cnn(CCCN2CCN(C(C)(C)C)CC2)c1.CC(C)S(=O)(=O)CCN1CCN(C(C)(C)C)CC1.Cc1cnc(N2CCN(CCOC(C)(C)C)CC2)nc1
InChIInChI=1S/C21H41N3O.C21H41N3.C19H33N3O.C19H38N2O2.2C19H38N2O.C18H32N4O.C18H34N4.2C18H37N3.C17H34N2.C16H33N.C15H26N4O.C14H30N2O.C14H30N2S.C13H28N2O2S/c1-19(2,3)24-11-9-23(10-12-24)18-14-21(15-18)16-22(17-21)8-7-13-25-20(4,5)6;1-19(2,3)23-11-7-18(8-12-23)15-22-13-9-21(10-14-22)16-24(17-21)20(4,5)6;1-18(2,3)16-7-8-17(20-15-16)22-11-9-21(10-12-22)13-14-23-19(4,5)6;1-17(2,3)21-11-8-19(9-12-21)16-20(13-15-23-19)10-7-14-22-18(4,5)6;1-16(2,3)21-14-18(7)12-20(13-19(18,8)15-21)10-9-11-22-17(4,5)6;1-18(2,3)21-13-11-20(12-14-21)15-16-7-9-17(10-8-16)22-19(4,5)6;1-17(2,3)15-13-20-16(14-19-15)22-9-7-21(8-10-22)11-12-23-18(4,5)6;1-17(2,3)16-14-19-22(15-16)9-7-8-20-10-12-21(13-11-20)18(4,5)6;1-17(2,3)16-7-9-19(10-8-16)15-20-11-13-21(14-12-20)18(4,5)6;1-17(2,3)20-9-7-16(8-10-20)15-19-11-13-21(14-12-19)18(4,5)6;1-16(2,3)9-7-8-10-18-12-15-11-14(18)13-19(15)17(4,5)6;1-15(2,3)11-7-8-14-9-12-17(13-10-14)16(4,5)6;1-13-11-16-14(17-12-13)19-7-5-18(6-8-19)9-10-20-15(2,3)4;2*1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6;1-12(2)18(16,17)11-10-14-6-8-15(9-7-14)13(3,4)5/h18H,7-17H2,1-6H3;18H,7-17H2,1-6H3;7-8,15H,9-14H2,1-6H3;7-16H2,1-6H3;9-15H2,1-8H3;16-17H,7-15H2,1-6H3;13-14H,7-12H2,1-6H3;14-15H,7-13H2,1-6H3;2*16H,7-15H2,1-6H3;14-15H,7-13H2,1-6H3;14H,7-13H2,1-6H3;11-12H,5-10H2,1-4H3;2*7-12H2,1-6H3;12H,6-11H2,1-5H3/t;;;;18-,19+;;;;;;14-,15-;;;;;/m..........0...../s1
InChIKeyWACFASTUSNUSLA-JEUDEGCVSA-N
MW4733.89 g/mol
LogP48.95
Rot. Bonds55

About (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;1-tert-butyl-4-(2-tert-butylsulfanylethyl)piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine

(3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;1-tert-butyl-4-(2-tert-butylsulfanylethyl)piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine (PubChem CID 161447608) has the molecular formula C279H550N42O11S2 and a molecular weight of 4733.89 g/mol. Its IUPAC name is (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;1-tert-butyl-4-(2-tert-butylsulfanylethyl)piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name(3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;1-tert-butyl-4-(2-tert-butylsulfanylethyl)piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine
PubChem CID161447608
Molecular FormulaC279H550N42O11S2
Molecular Weight4733.89 g/mol
Exact Mass4730.32
IUPAC Name(3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;1-tert-butyl-4-(2-tert-butylsulfanylethyl)piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine
SMILESCC(C)(C)C1CCN(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCCC1CCN(C(C)(C)C)CC1.CC(C)(C)CCCCN1C[C@@H]2C[C@H]1CN2C(C)(C)C.CC(C)(C)N1CCC(CN2CCC3(CC2)CN(C(C)(C)C)C3)CC1.CC(C)(C)N1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)OC1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)OCCCN1CC2(CC(N3CCN(C(C)(C)C)CC3)C2)C1.CC(C)(C)OCCCN1CCOC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCCN1C[C@@]2(C)CN(C(C)(C)C)C[C@@]2(C)C1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(c2ccc(C(C)(C)C)cn2)CC1.CC(C)(C)OCCN1CCN(c2cnc(C(C)(C)C)cn2)CC1.CC(C)(C)SCCN1CCN(C(C)(C)C)CC1.CC(C)(C)c1cnn(CCCN2CCN(C(C)(C)C)CC2)c1.CC(C)S(=O)(=O)CCN1CCN(C(C)(C)C)CC1.Cc1cnc(N2CCN(CCOC(C)(C)C)CC2)nc1
InChIInChI=1S/C21H41N3O.C21H41N3.C19H33N3O.C19H38N2O2.2C19H38N2O.C18H32N4O.C18H34N4.2C18H37N3.C17H34N2.C16H33N.C15H26N4O.C14H30N2O.C14H30N2S.C13H28N2O2S/c1-19(2,3)24-11-9-23(10-12-24)18-14-21(15-18)16-22(17-21)8-7-13-25-20(4,5)6;1-19(2,3)23-11-7-18(8-12-23)15-22-13-9-21(10-14-22)16-24(17-21)20(4,5)6;1-18(2,3)16-7-8-17(20-15-16)22-11-9-21(10-12-22)13-14-23-19(4,5)6;1-17(2,3)21-11-8-19(9-12-21)16-20(13-15-23-19)10-7-14-22-18(4,5)6;1-16(2,3)21-14-18(7)12-20(13-19(18,8)15-21)10-9-11-22-17(4,5)6;1-18(2,3)21-13-11-20(12-14-21)15-16-7-9-17(10-8-16)22-19(4,5)6;1-17(2,3)15-13-20-16(14-19-15)22-9-7-21(8-10-22)11-12-23-18(4,5)6;1-17(2,3)16-14-19-22(15-16)9-7-8-20-10-12-21(13-11-20)18(4,5)6;1-17(2,3)16-7-9-19(10-8-16)15-20-11-13-21(14-12-20)18(4,5)6;1-17(2,3)20-9-7-16(8-10-20)15-19-11-13-21(14-12-19)18(4,5)6;1-16(2,3)9-7-8-10-18-12-15-11-14(18)13-19(15)17(4,5)6;1-15(2,3)11-7-8-14-9-12-17(13-10-14)16(4,5)6;1-13-11-16-14(17-12-13)19-7-5-18(6-8-19)9-10-20-15(2,3)4;2*1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6;1-12(2)18(16,17)11-10-14-6-8-15(9-7-14)13(3,4)5/h18H,7-17H2,1-6H3;18H,7-17H2,1-6H3;7-8,15H,9-14H2,1-6H3;7-16H2,1-6H3;9-15H2,1-8H3;16-17H,7-15H2,1-6H3;13-14H,7-12H2,1-6H3;14-15H,7-13H2,1-6H3;2*16H,7-15H2,1-6H3;14-15H,7-13H2,1-6H3;14H,7-13H2,1-6H3;11-12H,5-10H2,1-4H3;2*7-12H2,1-6H3;12H,6-11H2,1-5H3/t;;;;18-,19+;;;;;;14-,15-;;;;;/m..........0...../s1
InChIKeyWACFASTUSNUSLA-JEUDEGCVSA-N
XLogP48.95
TPSA312.88 Ų
H-Bond Donors
H-Bond Acceptors54
Rotatable Bonds55
Heavy Atoms334
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004733.89
LogP ≤ 548.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1054

Analyze (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;1-tert-butyl-4-(2-tert-butylsulfanylethyl)piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine with MolForge

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What is the IUPAC name of (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;1-tert-butyl-4-(2-tert-butylsulfanylethyl)piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine?
The IUPAC name of (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;1-tert-butyl-4-(2-tert-butylsulfanylethyl)piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine (CID 161447608) is (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;1-tert-butyl-4-(2-tert-butylsulfanylethyl)piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;1-tert-butyl-4-(2-tert-butylsulfanylethyl)piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;1-tert-butyl-4-(2-tert-butylsulfanylethyl)piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine is CC(C)(C)C1CCN(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)CCCC1CCN(C(C)(C)C)CC1.CC(C)(C)CCCCN1C[C@@H]2C[C@H]1CN2C(C)(C)C.CC(C)(C)N1CCC(CN2CCC3(CC2)CN(C(C)(C)C)C3)CC1.CC(C)(C)N1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)OC1CCC(CN2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)OCCCN1CC2(CC(N3CCN(C(C)(C)C)CC3)C2)C1.CC(C)(C)OCCCN1CCOC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCCN1C[C@@]2(C)CN(C(C)(C)C)C[C@@]2(C)C1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(c2ccc(C(C)(C)C)cn2)CC1.CC(C)(C)OCCN1CCN(c2cnc(C(C)(C)C)cn2)CC1.CC(C)(C)SCCN1CCN(C(C)(C)C)CC1.CC(C)(C)c1cnn(CCCN2CCN(C(C)(C)C)CC2)c1.CC(C)S(=O)(=O)CCN1CCN(C(C)(C)C)CC1.Cc1cnc(N2CCN(CCOC(C)(C)C)CC2)nc1.
What is the InChIKey of (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;1-tert-butyl-4-(2-tert-butylsulfanylethyl)piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine?
The InChIKey is WACFASTUSNUSLA-JEUDEGCVSA-N. The full InChI is InChI=1S/C21H41N3O.C21H41N3.C19H33N3O.C19H38N2O2.2C19H38N2O.C18H32N4O.C18H34N4.2C18H37N3.C17H34N2.C16H33N.C15H26N4O.C14H30N2O.C14H30N2S.C13H28N2O2S/c1-19(2,3)24-11-9-23(10-12-24)18-14-21(15-18)16-22(17-21)8-7-13-25-20(4,5)6;1-19(2,3)23-11-7-18(8-12-23)15-22-13-9-21(10-14-22)16-24(17-21)20(4,5)6;1-18(2,3)16-7-8-17(20-15-16)22-11-9-21(10-12-22)13-14-23-19(4,5)6;1-17(2,3)21-11-8-19(9-12-21)16-20(13-15-23-19)10-7-14-22-18(4,5)6;1-16(2,3)21-14-18(7)12-20(13-19(18,8)15-21)10-9-11-22-17(4,5)6;1-18(2,3)21-13-11-20(12-14-21)15-16-7-9-17(10-8-16)22-19(4,5)6;1-17(2,3)15-13-20-16(14-19-15)22-9-7-21(8-10-22)11-12-23-18(4,5)6;1-17(2,3)16-14-19-22(15-16)9-7-8-20-10-12-21(13-11-20)18(4,5)6;1-17(2,3)16-7-9-19(10-8-16)15-20-11-13-21(14-12-20)18(4,5)6;1-17(2,3)20-9-7-16(8-10-20)15-19-11-13-21(14-12-19)18(4,5)6;1-16(2,3)9-7-8-10-18-12-15-11-14(18)13-19(15)17(4,5)6;1-15(2,3)11-7-8-14-9-12-17(13-10-14)16(4,5)6;1-13-11-16-14(17-12-13)19-7-5-18(6-8-19)9-10-20-15(2,3)4;2*1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6;1-12(2)18(16,17)11-10-14-6-8-15(9-7-14)13(3,4)5/h18H,7-17H2,1-6H3;18H,7-17H2,1-6H3;7-8,15H,9-14H2,1-6H3;7-16H2,1-6H3;9-15H2,1-8H3;16-17H,7-15H2,1-6H3;13-14H,7-12H2,1-6H3;14-15H,7-13H2,1-6H3;2*16H,7-15H2,1-6H3;14-15H,7-13H2,1-6H3;14H,7-13H2,1-6H3;11-12H,5-10H2,1-4H3;2*7-12H2,1-6H3;12H,6-11H2,1-5H3/t;;;;18-,19+;;;;;;14-,15-;;;;;/m..........0...../s1.
What are the key properties of (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;1-tert-butyl-4-(2-tert-butylsulfanylethyl)piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine?
(3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;1-tert-butyl-4-(2-tert-butylsulfanylethyl)piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine has a molecular weight of 4733.89 g/mol, XLogP of 48.95, 55 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-tert-butyl-3a,6a-dimethyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperazine;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;1-tert-butyl-4-(2-tert-butylsulfanylethyl)piperazine;(1S,4S)-2-tert-butyl-5-(5,5-dimethylhexyl)-2,5-diazabicyclo[2.2.1]heptane;1-tert-butyl-4-(4,4-dimethylpentyl)piperidine;1-tert-butyl-4-[[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]piperazine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;6-(4-tert-butylpiperazin-1-yl)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azaspiro[3.3]heptane;1-tert-butyl-4-(2-propan-2-ylsulfonylethyl)piperazine;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 161447608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).