1-cyclopropyl-2-methylidene-4-propan-2-ylpiperazine;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-ethyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(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;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene

C207H370F3N43O8S — CID 163451870

IUPAC1-cyclopropyl-2-methylidene-4-propan-2-ylpiperazine;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-ethyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(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;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene
SMILESC=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=C1CN(C(C)C)CCN1C.C=C1CN(C(C)C)CCN1C1CC1.CC(C)N1C2CCC1C(=O)N(CCF)C2.CC(C)N1C2CCC1c1cn[nH]c1C2.CC(C)N1CC2CCC1CN2C(=O)N1CCCC1.CC(C)N1CCC2=C(CN=C2)C1.CC(C)N1CCN(C(C)C)C(C)C1=O.CC(C)N1CCN(C)C(=O)C1C.CC(C)N1CCc2ncccc2C1.CC(C)N1CCc2ncsc2C1.CC(C)N1CCn2ccnc2C1C.CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)N1CCCC1.CCC1C(=O)N(C)CCN1C(C)C.CCN1CC2CCC(C1=O)N2C(C)C.Cc1ncn2c1CN(C(C)C)CC2
InChIInChI=1S/C14H25N3O.C13H23N3O.C13H24N2.C12H24N2O.C11H20F2N2.C11H19FN2O.C11H17N3.C11H20N2O.C11H22N2O.2C11H20N2.C11H16N2.2C10H17N3.C10H20N2O.C10H16N2.C9H18N2O.C9H14N2S.C9H18N2/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;1-10(2)14-7-6-13(8-9-15-5)11(3)12(14)4;1-8(2)15-6-5-14(7-11(12)13)9(3)10(15)4;1-8(2)14-9-3-4-10(14)11(15)13(7-9)6-5-12;1-7(2)14-8-3-4-11(14)9-6-12-13-10(9)5-8;1-4-12-7-9-5-6-10(11(12)14)13(9)8(2)3;1-8(2)12-6-7-13(9(3)4)11(14)10(12)5;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)13-7-5-11-10(8-13)4-3-6-12-11;1-8(2)12-4-5-13-7-11-9(3)10(13)6-12;1-8(2)13-7-6-12-5-4-11-10(12)9(13)3;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;1-7(2)11-6-5-10(4)9(12)8(11)3;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;10,12H,3,6-9H2,1-2,4-5H3;8,10-11H,3,5-7H2,1-2,4H3;8-10H,3-7H2,1-2H3;6-8,11H,3-5H2,1-2H3,(H,12,13);8-10H,4-7H2,1-3H3;8-10H,6-7H2,1-5H3;8,10-11H,3,5-7H2,1-2,4H3;9,11H,3-8H2,1-2H3;3-4,6,9H,5,7-8H2,1-2H3;7-8H,4-6H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;8-9H,5-7H2,1-4H3;5,8H,3-4,6-7H2,1-2H3;7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;8H,3,5-7H2,1-2,4H3/t;11-,12-;;;;;;;;;;;;;;;;;/m.0................./s1
InChIKeyBHHBHQSVULXLMP-KEWPCWAMSA-N
MW3678.59 g/mol
LogP29.04
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-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-ethyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(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;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-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-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-ethyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(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;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene (PubChem CID 163451870) has the molecular formula C207H370F3N43O8S and a molecular weight of 3678.59 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-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-ethyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(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;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-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-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-ethyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(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;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene
PubChem CID163451870
Molecular FormulaC207H370F3N43O8S
Molecular Weight3678.59 g/mol
Exact Mass3675.95
IUPAC Name1-cyclopropyl-2-methylidene-4-propan-2-ylpiperazine;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-ethyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(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;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene
SMILESC=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=C1CN(C(C)C)CCN1C.C=C1CN(C(C)C)CCN1C1CC1.CC(C)N1C2CCC1C(=O)N(CCF)C2.CC(C)N1C2CCC1c1cn[nH]c1C2.CC(C)N1CC2CCC1CN2C(=O)N1CCCC1.CC(C)N1CCC2=C(CN=C2)C1.CC(C)N1CCN(C(C)C)C(C)C1=O.CC(C)N1CCN(C)C(=O)C1C.CC(C)N1CCc2ncccc2C1.CC(C)N1CCc2ncsc2C1.CC(C)N1CCn2ccnc2C1C.CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)N1CCCC1.CCC1C(=O)N(C)CCN1C(C)C.CCN1CC2CCC(C1=O)N2C(C)C.Cc1ncn2c1CN(C(C)C)CC2
InChIInChI=1S/C14H25N3O.C13H23N3O.C13H24N2.C12H24N2O.C11H20F2N2.C11H19FN2O.C11H17N3.C11H20N2O.C11H22N2O.2C11H20N2.C11H16N2.2C10H17N3.C10H20N2O.C10H16N2.C9H18N2O.C9H14N2S.C9H18N2/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;1-10(2)14-7-6-13(8-9-15-5)11(3)12(14)4;1-8(2)15-6-5-14(7-11(12)13)9(3)10(15)4;1-8(2)14-9-3-4-10(14)11(15)13(7-9)6-5-12;1-7(2)14-8-3-4-11(14)9-6-12-13-10(9)5-8;1-4-12-7-9-5-6-10(11(12)14)13(9)8(2)3;1-8(2)12-6-7-13(9(3)4)11(14)10(12)5;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)13-7-5-11-10(8-13)4-3-6-12-11;1-8(2)12-4-5-13-7-11-9(3)10(13)6-12;1-8(2)13-7-6-12-5-4-11-10(12)9(13)3;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;1-7(2)11-6-5-10(4)9(12)8(11)3;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;10,12H,3,6-9H2,1-2,4-5H3;8,10-11H,3,5-7H2,1-2,4H3;8-10H,3-7H2,1-2H3;6-8,11H,3-5H2,1-2H3,(H,12,13);8-10H,4-7H2,1-3H3;8-10H,6-7H2,1-5H3;8,10-11H,3,5-7H2,1-2,4H3;9,11H,3-8H2,1-2H3;3-4,6,9H,5,7-8H2,1-2H3;7-8H,4-6H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;8-9H,5-7H2,1-4H3;5,8H,3-4,6-7H2,1-2H3;7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;8H,3,5-7H2,1-2,4H3/t;11-,12-;;;;;;;;;;;;;;;;;/m.0................./s1
InChIKeyBHHBHQSVULXLMP-KEWPCWAMSA-N
XLogP29.04
TPSA341.34 Ų
H-Bond Donors1
H-Bond Acceptors42
Rotatable Bonds31
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003678.59
LogP ≤ 529.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1042

Analyze 1-cyclopropyl-2-methylidene-4-propan-2-ylpiperazine;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-ethyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(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;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-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-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-ethyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(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;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-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-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-ethyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(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;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene (CID 163451870) is 1-cyclopropyl-2-methylidene-4-propan-2-ylpiperazine;1-(2,2-difluoroethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-ethyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(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;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-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-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-ethyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(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;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-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-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-ethyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(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;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene is 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=C1CN(C(C)C)CCN1C.C=C1CN(C(C)C)CCN1C1CC1.CC(C)N1C2CCC1C(=O)N(CCF)C2.CC(C)N1C2CCC1c1cn[nH]c1C2.CC(C)N1CC2CCC1CN2C(=O)N1CCCC1.CC(C)N1CCC2=C(CN=C2)C1.CC(C)N1CCN(C(C)C)C(C)C1=O.CC(C)N1CCN(C)C(=O)C1C.CC(C)N1CCc2ncccc2C1.CC(C)N1CCc2ncsc2C1.CC(C)N1CCn2ccnc2C1C.CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)N1CCCC1.CCC1C(=O)N(C)CCN1C(C)C.CCN1CC2CCC(C1=O)N2C(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-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-ethyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(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;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene?
The InChIKey is BHHBHQSVULXLMP-KEWPCWAMSA-N. The full InChI is InChI=1S/C14H25N3O.C13H23N3O.C13H24N2.C12H24N2O.C11H20F2N2.C11H19FN2O.C11H17N3.C11H20N2O.C11H22N2O.2C11H20N2.C11H16N2.2C10H17N3.C10H20N2O.C10H16N2.C9H18N2O.C9H14N2S.C9H18N2/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;1-10(2)14-7-6-13(8-9-15-5)11(3)12(14)4;1-8(2)15-6-5-14(7-11(12)13)9(3)10(15)4;1-8(2)14-9-3-4-10(14)11(15)13(7-9)6-5-12;1-7(2)14-8-3-4-11(14)9-6-12-13-10(9)5-8;1-4-12-7-9-5-6-10(11(12)14)13(9)8(2)3;1-8(2)12-6-7-13(9(3)4)11(14)10(12)5;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)13-7-5-11-10(8-13)4-3-6-12-11;1-8(2)12-4-5-13-7-11-9(3)10(13)6-12;1-8(2)13-7-6-12-5-4-11-10(12)9(13)3;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;1-7(2)11-6-5-10(4)9(12)8(11)3;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;10,12H,3,6-9H2,1-2,4-5H3;8,10-11H,3,5-7H2,1-2,4H3;8-10H,3-7H2,1-2H3;6-8,11H,3-5H2,1-2H3,(H,12,13);8-10H,4-7H2,1-3H3;8-10H,6-7H2,1-5H3;8,10-11H,3,5-7H2,1-2,4H3;9,11H,3-8H2,1-2H3;3-4,6,9H,5,7-8H2,1-2H3;7-8H,4-6H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;8-9H,5-7H2,1-4H3;5,8H,3-4,6-7H2,1-2H3;7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;8H,3,5-7H2,1-2,4H3/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-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-ethyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(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;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-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-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-ethyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(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;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-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 3678.59 g/mol, XLogP of 29.04, 31 rotatable bonds, 1 hydrogen bond donors, and 42 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-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;3-ethyl-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;3-(2-fluoroethyl)-8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-2-one;1-(2-methoxyethyl)-3-methyl-2-methylidene-4-propan-2-ylpiperazine;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;2-methylidene-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane;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;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;[(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;5-propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,4-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 163451870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).