1-cyclopropyl-2-methylidene-4-propan-2-ylpiperazine;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-2-methylidene-4-propan-2-ylpiperazine;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;methane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine;[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-pyrrolidin-1-ylmethanone;(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)-pyrrolidin-1-ylmethanone;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene

C219H407F3N42O4S — CID 163990758

IUPAC1-cyclopropyl-2-methylidene-4-propan-2-ylpiperazine;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-2-methylidene-4-propan-2-ylpiperazine;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;methane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine;[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-pyrrolidin-1-ylmethanone;(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)-pyrrolidin-1-ylmethanone;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene
SMILESC.C.C.C.C.C.C.C=C1C(C)N(C(C)C)CCN1C.C=C1C(C)N(C(C)C)CCN1C(C)C.C=C1C(C)N(C(C)C)CCN1CC(F)F.C=C1C(C)N(C(C)C)CCN1CCOC.C=C1C2CCC(CN1C(C)C)N2C(C)C.C=C1C2CCC(CN1C)N2C(C)C.C=C1C2CCC(CN1CC)N2C(C)C.C=C1C2CCC(CN1CCF)N2C(C)C.C=C1CN(C(C)C)CCN1C.C=C1CN(C(C)C)CCN1C1CC1.CC(C)N1C2CCC1c1cn[nH]c1C2.CC(C)N1CC2CCC1CN2C(=O)N1CCCC1.CC(C)N1CCC2C=NC=C2C1.CC(C)N1CCc2ncccc2C1.CC(C)N1CCc2ncsc2C1.CC(C)N1CCn2cccc2C1C.CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)N1CCCC1.CCC1C(=O)N(C)CCN1C(C)C.Cc1ncn2c1CN(C(C)C)CC2
InChIInChI=1S/C14H25N3O.C13H23N3O.C13H24N2.C12H21FN2.C12H24N2O.C12H22N2.C12H24N2.C11H20F2N2.C11H17N3.2C11H20N2.C11H18N2.C11H16N2.C10H17N3.C10H20N2O.C10H16N2.C10H20N2.C9H14N2S.C9H18N2.7CH4/c1-11(2)16-9-13-6-5-12(16)10-17(13)14(18)15-7-3-4-8-15;1-10(2)15-8-12-7-11(15)9-16(12)13(17)14-5-3-4-6-14;1-9(2)14-8-12-6-7-13(11(14)5)15(12)10(3)4;1-9(2)15-11-4-5-12(15)10(3)14(8-11)7-6-13;1-10(2)14-7-6-13(8-9-15-5)11(3)12(14)4;1-5-13-8-11-6-7-12(10(13)4)14(11)9(2)3;1-9(2)13-7-8-14(10(3)4)12(6)11(13)5;1-8(2)15-6-5-14(7-11(12)13)9(3)10(15)4;1-7(2)14-8-3-4-11(14)9-6-12-13-10(9)5-8;1-8(2)13-10-5-6-11(13)9(3)12(4)7-10;1-9(2)12-6-7-13(10(3)8-12)11-4-5-11;1-9(2)13-8-7-12-6-4-5-11(12)10(13)3;1-9(2)13-7-5-11-10(8-13)4-3-6-12-11;1-8(2)12-4-5-13-7-11-9(3)10(13)6-12;1-5-9-10(13)11(4)6-7-12(9)8(2)3;1-8(2)12-4-3-9-5-11-6-10(9)7-12;1-8(2)12-7-6-11(5)9(3)10(12)4;1-7(2)11-4-3-8-9(5-11)12-6-10-8;1-8(2)11-6-5-10(4)9(3)7-11;;;;;;;/h11-13H,3-10H2,1-2H3;10-12H,3-9H2,1-2H3;9-10,12-13H,5-8H2,1-4H3;9,11-12H,3-8H2,1-2H3;10,12H,3,6-9H2,1-2,4-5H3;9,11-12H,4-8H2,1-3H3;9-10,12H,5,7-8H2,1-4,6H3;8,10-11H,3,5-7H2,1-2,4H3;6-8,11H,3-5H2,1-2H3,(H,12,13);8,10-11H,3,5-7H2,1-2,4H3;9,11H,3-8H2,1-2H3;4-6,9-10H,7-8H2,1-3H3;3-4,6,9H,5,7-8H2,1-2H3;7-8H,4-6H2,1-3H3;8-9H,5-7H2,1-4H3;5-6,8-9H,3-4,7H2,1-2H3;8,10H,3,6-7H2,1-2,4-5H3;6-7H,3-5H2,1-2H3;8H,3,5-7H2,1-2,4H3;7*1H4/t;11-,12-;;;;;;;;;;;;;;;;;;;;;;;;/m.0......................../s1
InChIKeyUALAZSZHNWATDL-OPVROSJYSA-N
MW3782.02 g/mol
LogP38.25
Rot. Bonds31

About 1-cyclopropyl-2-methylidene-4-propan-2-ylpiperazine;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-2-methylidene-4-propan-2-ylpiperazine;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;methane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine;[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-pyrrolidin-1-ylmethanone;(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)-pyrrolidin-1-ylmethanone;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene

1-cyclopropyl-2-methylidene-4-propan-2-ylpiperazine;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-2-methylidene-4-propan-2-ylpiperazine;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;methane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine;[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-pyrrolidin-1-ylmethanone;(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)-pyrrolidin-1-ylmethanone;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene (PubChem CID 163990758) has the molecular formula C219H407F3N42O4S and a molecular weight of 3782.02 g/mol. Its IUPAC name is 1-cyclopropyl-2-methylidene-4-propan-2-ylpiperazine;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-2-methylidene-4-propan-2-ylpiperazine;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;methane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine;[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-pyrrolidin-1-ylmethanone;(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)-pyrrolidin-1-ylmethanone;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene.

Molecular Properties

Compound Name1-cyclopropyl-2-methylidene-4-propan-2-ylpiperazine;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-2-methylidene-4-propan-2-ylpiperazine;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;methane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine;[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-pyrrolidin-1-ylmethanone;(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)-pyrrolidin-1-ylmethanone;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene
PubChem CID163990758
Molecular FormulaC219H407F3N42O4S
Molecular Weight3782.02 g/mol
Exact Mass3779.26
IUPAC Name1-cyclopropyl-2-methylidene-4-propan-2-ylpiperazine;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-2-methylidene-4-propan-2-ylpiperazine;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;methane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine;[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-pyrrolidin-1-ylmethanone;(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)-pyrrolidin-1-ylmethanone;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene
SMILESC.C.C.C.C.C.C.C=C1C(C)N(C(C)C)CCN1C.C=C1C(C)N(C(C)C)CCN1C(C)C.C=C1C(C)N(C(C)C)CCN1CC(F)F.C=C1C(C)N(C(C)C)CCN1CCOC.C=C1C2CCC(CN1C(C)C)N2C(C)C.C=C1C2CCC(CN1C)N2C(C)C.C=C1C2CCC(CN1CC)N2C(C)C.C=C1C2CCC(CN1CCF)N2C(C)C.C=C1CN(C(C)C)CCN1C.C=C1CN(C(C)C)CCN1C1CC1.CC(C)N1C2CCC1c1cn[nH]c1C2.CC(C)N1CC2CCC1CN2C(=O)N1CCCC1.CC(C)N1CCC2C=NC=C2C1.CC(C)N1CCc2ncccc2C1.CC(C)N1CCc2ncsc2C1.CC(C)N1CCn2cccc2C1C.CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)N1CCCC1.CCC1C(=O)N(C)CCN1C(C)C.Cc1ncn2c1CN(C(C)C)CC2
InChIInChI=1S/C14H25N3O.C13H23N3O.C13H24N2.C12H21FN2.C12H24N2O.C12H22N2.C12H24N2.C11H20F2N2.C11H17N3.2C11H20N2.C11H18N2.C11H16N2.C10H17N3.C10H20N2O.C10H16N2.C10H20N2.C9H14N2S.C9H18N2.7CH4/c1-11(2)16-9-13-6-5-12(16)10-17(13)14(18)15-7-3-4-8-15;1-10(2)15-8-12-7-11(15)9-16(12)13(17)14-5-3-4-6-14;1-9(2)14-8-12-6-7-13(11(14)5)15(12)10(3)4;1-9(2)15-11-4-5-12(15)10(3)14(8-11)7-6-13;1-10(2)14-7-6-13(8-9-15-5)11(3)12(14)4;1-5-13-8-11-6-7-12(10(13)4)14(11)9(2)3;1-9(2)13-7-8-14(10(3)4)12(6)11(13)5;1-8(2)15-6-5-14(7-11(12)13)9(3)10(15)4;1-7(2)14-8-3-4-11(14)9-6-12-13-10(9)5-8;1-8(2)13-10-5-6-11(13)9(3)12(4)7-10;1-9(2)12-6-7-13(10(3)8-12)11-4-5-11;1-9(2)13-8-7-12-6-4-5-11(12)10(13)3;1-9(2)13-7-5-11-10(8-13)4-3-6-12-11;1-8(2)12-4-5-13-7-11-9(3)10(13)6-12;1-5-9-10(13)11(4)6-7-12(9)8(2)3;1-8(2)12-4-3-9-5-11-6-10(9)7-12;1-8(2)12-7-6-11(5)9(3)10(12)4;1-7(2)11-4-3-8-9(5-11)12-6-10-8;1-8(2)11-6-5-10(4)9(3)7-11;;;;;;;/h11-13H,3-10H2,1-2H3;10-12H,3-9H2,1-2H3;9-10,12-13H,5-8H2,1-4H3;9,11-12H,3-8H2,1-2H3;10,12H,3,6-9H2,1-2,4-5H3;9,11-12H,4-8H2,1-3H3;9-10,12H,5,7-8H2,1-4,6H3;8,10-11H,3,5-7H2,1-2,4H3;6-8,11H,3-5H2,1-2H3,(H,12,13);8,10-11H,3,5-7H2,1-2,4H3;9,11H,3-8H2,1-2H3;4-6,9-10H,7-8H2,1-3H3;3-4,6,9H,5,7-8H2,1-2H3;7-8H,4-6H2,1-3H3;8-9H,5-7H2,1-4H3;5-6,8-9H,3-4,7H2,1-2H3;8,10H,3,6-7H2,1-2,4-5H3;6-7H,3-5H2,1-2H3;8H,3,5-7H2,1-2,4H3;7*1H4/t;11-,12-;;;;;;;;;;;;;;;;;;;;;;;;/m.0......................../s1
InChIKeyUALAZSZHNWATDL-OPVROSJYSA-N
XLogP38.25
TPSA260.17 Ų
H-Bond Donors1
H-Bond Acceptors41
Rotatable Bonds31
Heavy Atoms269
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003782.02
LogP ≤ 538.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1041

Analyze 1-cyclopropyl-2-methylidene-4-propan-2-ylpiperazine;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-2-methylidene-4-propan-2-ylpiperazine;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;methane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine;[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-pyrrolidin-1-ylmethanone;(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)-pyrrolidin-1-ylmethanone;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene with MolForge

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What is the IUPAC name of 1-cyclopropyl-2-methylidene-4-propan-2-ylpiperazine;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-2-methylidene-4-propan-2-ylpiperazine;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;methane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine;[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-pyrrolidin-1-ylmethanone;(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)-pyrrolidin-1-ylmethanone;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene?
The IUPAC name of 1-cyclopropyl-2-methylidene-4-propan-2-ylpiperazine;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-2-methylidene-4-propan-2-ylpiperazine;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;methane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine;[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-pyrrolidin-1-ylmethanone;(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)-pyrrolidin-1-ylmethanone;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene (CID 163990758) is 1-cyclopropyl-2-methylidene-4-propan-2-ylpiperazine;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-2-methylidene-4-propan-2-ylpiperazine;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;methane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine;[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-pyrrolidin-1-ylmethanone;(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)-pyrrolidin-1-ylmethanone;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene.
What is the SMILES notation for 1-cyclopropyl-2-methylidene-4-propan-2-ylpiperazine;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-2-methylidene-4-propan-2-ylpiperazine;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;methane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine;[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-pyrrolidin-1-ylmethanone;(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)-pyrrolidin-1-ylmethanone;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene?
The canonical SMILES for 1-cyclopropyl-2-methylidene-4-propan-2-ylpiperazine;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-2-methylidene-4-propan-2-ylpiperazine;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;methane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine;[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-pyrrolidin-1-ylmethanone;(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)-pyrrolidin-1-ylmethanone;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene is C.C.C.C.C.C.C.C=C1C(C)N(C(C)C)CCN1C.C=C1C(C)N(C(C)C)CCN1C(C)C.C=C1C(C)N(C(C)C)CCN1CC(F)F.C=C1C(C)N(C(C)C)CCN1CCOC.C=C1C2CCC(CN1C(C)C)N2C(C)C.C=C1C2CCC(CN1C)N2C(C)C.C=C1C2CCC(CN1CC)N2C(C)C.C=C1C2CCC(CN1CCF)N2C(C)C.C=C1CN(C(C)C)CCN1C.C=C1CN(C(C)C)CCN1C1CC1.CC(C)N1C2CCC1c1cn[nH]c1C2.CC(C)N1CC2CCC1CN2C(=O)N1CCCC1.CC(C)N1CCC2C=NC=C2C1.CC(C)N1CCc2ncccc2C1.CC(C)N1CCc2ncsc2C1.CC(C)N1CCn2cccc2C1C.CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)N1CCCC1.CCC1C(=O)N(C)CCN1C(C)C.Cc1ncn2c1CN(C(C)C)CC2.
What is the InChIKey of 1-cyclopropyl-2-methylidene-4-propan-2-ylpiperazine;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-2-methylidene-4-propan-2-ylpiperazine;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;methane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine;[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-pyrrolidin-1-ylmethanone;(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)-pyrrolidin-1-ylmethanone;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene?
The InChIKey is UALAZSZHNWATDL-OPVROSJYSA-N. The full InChI is InChI=1S/C14H25N3O.C13H23N3O.C13H24N2.C12H21FN2.C12H24N2O.C12H22N2.C12H24N2.C11H20F2N2.C11H17N3.2C11H20N2.C11H18N2.C11H16N2.C10H17N3.C10H20N2O.C10H16N2.C10H20N2.C9H14N2S.C9H18N2.7CH4/c1-11(2)16-9-13-6-5-12(16)10-17(13)14(18)15-7-3-4-8-15;1-10(2)15-8-12-7-11(15)9-16(12)13(17)14-5-3-4-6-14;1-9(2)14-8-12-6-7-13(11(14)5)15(12)10(3)4;1-9(2)15-11-4-5-12(15)10(3)14(8-11)7-6-13;1-10(2)14-7-6-13(8-9-15-5)11(3)12(14)4;1-5-13-8-11-6-7-12(10(13)4)14(11)9(2)3;1-9(2)13-7-8-14(10(3)4)12(6)11(13)5;1-8(2)15-6-5-14(7-11(12)13)9(3)10(15)4;1-7(2)14-8-3-4-11(14)9-6-12-13-10(9)5-8;1-8(2)13-10-5-6-11(13)9(3)12(4)7-10;1-9(2)12-6-7-13(10(3)8-12)11-4-5-11;1-9(2)13-8-7-12-6-4-5-11(12)10(13)3;1-9(2)13-7-5-11-10(8-13)4-3-6-12-11;1-8(2)12-4-5-13-7-11-9(3)10(13)6-12;1-5-9-10(13)11(4)6-7-12(9)8(2)3;1-8(2)12-4-3-9-5-11-6-10(9)7-12;1-8(2)12-7-6-11(5)9(3)10(12)4;1-7(2)11-4-3-8-9(5-11)12-6-10-8;1-8(2)11-6-5-10(4)9(3)7-11;;;;;;;/h11-13H,3-10H2,1-2H3;10-12H,3-9H2,1-2H3;9-10,12-13H,5-8H2,1-4H3;9,11-12H,3-8H2,1-2H3;10,12H,3,6-9H2,1-2,4-5H3;9,11-12H,4-8H2,1-3H3;9-10,12H,5,7-8H2,1-4,6H3;8,10-11H,3,5-7H2,1-2,4H3;6-8,11H,3-5H2,1-2H3,(H,12,13);8,10-11H,3,5-7H2,1-2,4H3;9,11H,3-8H2,1-2H3;4-6,9-10H,7-8H2,1-3H3;3-4,6,9H,5,7-8H2,1-2H3;7-8H,4-6H2,1-3H3;8-9H,5-7H2,1-4H3;5-6,8-9H,3-4,7H2,1-2H3;8,10H,3,6-7H2,1-2,4-5H3;6-7H,3-5H2,1-2H3;8H,3,5-7H2,1-2,4H3;7*1H4/t;11-,12-;;;;;;;;;;;;;;;;;;;;;;;;/m.0......................../s1.
What are the key properties of 1-cyclopropyl-2-methylidene-4-propan-2-ylpiperazine;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-2-methylidene-4-propan-2-ylpiperazine;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;methane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine;[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-pyrrolidin-1-ylmethanone;(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)-pyrrolidin-1-ylmethanone;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene?
1-cyclopropyl-2-methylidene-4-propan-2-ylpiperazine;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-2-methylidene-4-propan-2-ylpiperazine;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;methane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine;[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-pyrrolidin-1-ylmethanone;(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)-pyrrolidin-1-ylmethanone;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene has a molecular weight of 3782.02 g/mol, XLogP of 38.25, 31 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methylidene-4-propan-2-ylpiperazine;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-2-methylidene-4-propan-2-ylpiperazine;3-ethyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-(2-fluoroethyl)-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;methane;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;2-methyl-3-methylidene-1,4-di(propan-2-yl)piperazine;3-methyl-2-methylidene-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;1-methyl-2-methylidene-4-propan-2-ylpiperazine;1-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;5-propan-2-yl-4,6,7,7a-tetrahydropyrrolo[3,4-c]pyridine;[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-pyrrolidin-1-ylmethanone;(5-propan-2-yl-2,5-diazabicyclo[2.2.2]octan-2-yl)-pyrrolidin-1-ylmethanone;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene is sourced from PubChem (CID 163990758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).