1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;methyl (3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;3-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-4-propan-2-ylpiperazin-2-one;[(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;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C187H331F5N44O12S — CID 160725569

IUPAC1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;methyl (3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;3-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-4-propan-2-ylpiperazin-2-one;[(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;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCC(C)N1C2CCC1c1cn[nH]c1C2.CC(C)N1CC2CCC1CN2C(=O)N1CCCC1.CC(C)N1CCN(C(C)C)C(C)C1=O.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)C(=O)C1C.CC(C)N1CCN(C2CC2)C(=O)C1.CC(C)N1CCN(CC(F)F)C(=O)C1C.CC(C)N1CCc2c(ncn2C)C1.CC(C)N1CCc2cn[nH]c2C1.CC(C)N1CCc2ncccc2C1.CC(C)N1CCc2ncsc2C1.CC(C)N1CCn2cnc(C(F)(F)F)c2C1.CC(C)N1CCn2cncc2C1C.CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)N1CCCC1.CCC1C(=O)N(C)CCN1C(C)C.COC(=O)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.COCCN1CCN(C(C)C)C(C)C1=O.Cc1cnc2n1CCN(C(C)C)C2
InChIInChI=1S/C14H25N3O.C13H23N3O.C11H17N3.2C11H22N2O2.C11H22N2O.C11H16N2.C10H14F3N3.C10H18F2N2O.3C10H17N3.C10H18N2O.C10H20N2O.C9H15N3.C9H18N2O.C9H14N2S.C8H16N2O/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;1-7(2)14-8-3-4-11(14)9-6-12-13-10(9)5-8;1-8(2)13-9(3)6-12(7-10(13)4)11(14)15-5;1-9(2)13-6-5-12(7-8-15-4)11(14)10(13)3;1-8(2)12-6-7-13(9(3)4)11(14)10(12)5;1-9(2)13-7-5-11-10(8-13)4-3-6-12-11;1-7(2)15-3-4-16-6-14-9(8(16)5-15)10(11,12)13;1-7(2)14-5-4-13(6-9(11)12)10(15)8(14)3;1-8(2)13-5-4-10-9(6-13)11-7-12(10)3;1-8(2)13-5-4-12-7-11-6-10(12)9(13)3;1-8(2)12-4-5-13-9(3)6-11-10(13)7-12;1-8(2)11-5-6-12(9-3-4-9)10(13)7-11;1-5-9-10(13)11(4)6-7-12(9)8(2)3;1-7(2)12-4-3-8-5-10-11-9(8)6-12;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;1-7(2)10-5-4-9(3)8(11)6-10/h11-13H,3-10H2,1-2H3;10-12H,3-9H2,1-2H3;6-8,11H,3-5H2,1-2H3,(H,12,13);8-10H,6-7H2,1-5H3;9-10H,5-8H2,1-4H3;8-10H,6-7H2,1-5H3;3-4,6,9H,5,7-8H2,1-2H3;6-7H,3-5H2,1-2H3;7-9H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3;6-9H,4-5H2,1-3H3;6,8H,4-5,7H2,1-3H3;8-9H,3-7H2,1-2H3;8-9H,5-7H2,1-4H3;5,7H,3-4,6H2,1-2H3,(H,10,11);7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;7H,4-6H2,1-3H3/t;11-,12-;;9-,10+;;;;;;;;;;;;;;/m.0................/s1
InChIKeyRTQWXKAPZBMOHK-AXSPLXJTSA-N
MW3515.06 g/mol
LogP23.37
Rot. Bonds26

About 1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;methyl (3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;3-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-4-propan-2-ylpiperazin-2-one;[(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;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;methyl (3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;3-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-4-propan-2-ylpiperazin-2-one;[(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;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 160725569) has the molecular formula C187H331F5N44O12S and a molecular weight of 3515.06 g/mol. Its IUPAC name is 1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;methyl (3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;3-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-4-propan-2-ylpiperazin-2-one;[(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;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;methyl (3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;3-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-4-propan-2-ylpiperazin-2-one;[(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;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID160725569
Molecular FormulaC187H331F5N44O12S
Molecular Weight3515.06 g/mol
Exact Mass3512.63
IUPAC Name1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;methyl (3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;3-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-4-propan-2-ylpiperazin-2-one;[(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;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCC(C)N1C2CCC1c1cn[nH]c1C2.CC(C)N1CC2CCC1CN2C(=O)N1CCCC1.CC(C)N1CCN(C(C)C)C(C)C1=O.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)C(=O)C1C.CC(C)N1CCN(C2CC2)C(=O)C1.CC(C)N1CCN(CC(F)F)C(=O)C1C.CC(C)N1CCc2c(ncn2C)C1.CC(C)N1CCc2cn[nH]c2C1.CC(C)N1CCc2ncccc2C1.CC(C)N1CCc2ncsc2C1.CC(C)N1CCn2cnc(C(F)(F)F)c2C1.CC(C)N1CCn2cncc2C1C.CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)N1CCCC1.CCC1C(=O)N(C)CCN1C(C)C.COC(=O)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.COCCN1CCN(C(C)C)C(C)C1=O.Cc1cnc2n1CCN(C(C)C)C2
InChIInChI=1S/C14H25N3O.C13H23N3O.C11H17N3.2C11H22N2O2.C11H22N2O.C11H16N2.C10H14F3N3.C10H18F2N2O.3C10H17N3.C10H18N2O.C10H20N2O.C9H15N3.C9H18N2O.C9H14N2S.C8H16N2O/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;1-7(2)14-8-3-4-11(14)9-6-12-13-10(9)5-8;1-8(2)13-9(3)6-12(7-10(13)4)11(14)15-5;1-9(2)13-6-5-12(7-8-15-4)11(14)10(13)3;1-8(2)12-6-7-13(9(3)4)11(14)10(12)5;1-9(2)13-7-5-11-10(8-13)4-3-6-12-11;1-7(2)15-3-4-16-6-14-9(8(16)5-15)10(11,12)13;1-7(2)14-5-4-13(6-9(11)12)10(15)8(14)3;1-8(2)13-5-4-10-9(6-13)11-7-12(10)3;1-8(2)13-5-4-12-7-11-6-10(12)9(13)3;1-8(2)12-4-5-13-9(3)6-11-10(13)7-12;1-8(2)11-5-6-12(9-3-4-9)10(13)7-11;1-5-9-10(13)11(4)6-7-12(9)8(2)3;1-7(2)12-4-3-8-5-10-11-9(8)6-12;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;1-7(2)10-5-4-9(3)8(11)6-10/h11-13H,3-10H2,1-2H3;10-12H,3-9H2,1-2H3;6-8,11H,3-5H2,1-2H3,(H,12,13);8-10H,6-7H2,1-5H3;9-10H,5-8H2,1-4H3;8-10H,6-7H2,1-5H3;3-4,6,9H,5,7-8H2,1-2H3;6-7H,3-5H2,1-2H3;7-9H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3;6-9H,4-5H2,1-3H3;6,8H,4-5,7H2,1-3H3;8-9H,3-7H2,1-2H3;8-9H,5-7H2,1-4H3;5,7H,3-4,6H2,1-2H3,(H,10,11);7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;7H,4-6H2,1-3H3/t;11-,12-;;9-,10+;;;;;;;;;;;;;;/m.0................/s1
InChIKeyRTQWXKAPZBMOHK-AXSPLXJTSA-N
XLogP23.37
TPSA440.78 Ų
H-Bond Donors2
H-Bond Acceptors43
Rotatable Bonds26
Heavy Atoms249
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003515.06
LogP ≤ 523.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1043

Analyze 1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;methyl (3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;3-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-4-propan-2-ylpiperazin-2-one;[(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;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;methyl (3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;3-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-4-propan-2-ylpiperazin-2-one;[(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;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of 1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;methyl (3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;3-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-4-propan-2-ylpiperazin-2-one;[(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;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 160725569) is 1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;methyl (3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;3-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-4-propan-2-ylpiperazin-2-one;[(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;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;methyl (3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;3-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-4-propan-2-ylpiperazin-2-one;[(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;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for 1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;methyl (3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;3-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-4-propan-2-ylpiperazin-2-one;[(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;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is CC(C)N1C2CCC1c1cn[nH]c1C2.CC(C)N1CC2CCC1CN2C(=O)N1CCCC1.CC(C)N1CCN(C(C)C)C(C)C1=O.CC(C)N1CCN(C)C(=O)C1.CC(C)N1CCN(C)C(=O)C1C.CC(C)N1CCN(C2CC2)C(=O)C1.CC(C)N1CCN(CC(F)F)C(=O)C1C.CC(C)N1CCc2c(ncn2C)C1.CC(C)N1CCc2cn[nH]c2C1.CC(C)N1CCc2ncccc2C1.CC(C)N1CCc2ncsc2C1.CC(C)N1CCn2cnc(C(F)(F)F)c2C1.CC(C)N1CCn2cncc2C1C.CC(C)N1C[C@@H]2C[C@H]1CN2C(=O)N1CCCC1.CCC1C(=O)N(C)CCN1C(C)C.COC(=O)N1C[C@@H](C)N(C(C)C)[C@@H](C)C1.COCCN1CCN(C(C)C)C(C)C1=O.Cc1cnc2n1CCN(C(C)C)C2.
What is the InChIKey of 1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;methyl (3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;3-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-4-propan-2-ylpiperazin-2-one;[(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;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is RTQWXKAPZBMOHK-AXSPLXJTSA-N. The full InChI is InChI=1S/C14H25N3O.C13H23N3O.C11H17N3.2C11H22N2O2.C11H22N2O.C11H16N2.C10H14F3N3.C10H18F2N2O.3C10H17N3.C10H18N2O.C10H20N2O.C9H15N3.C9H18N2O.C9H14N2S.C8H16N2O/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;1-7(2)14-8-3-4-11(14)9-6-12-13-10(9)5-8;1-8(2)13-9(3)6-12(7-10(13)4)11(14)15-5;1-9(2)13-6-5-12(7-8-15-4)11(14)10(13)3;1-8(2)12-6-7-13(9(3)4)11(14)10(12)5;1-9(2)13-7-5-11-10(8-13)4-3-6-12-11;1-7(2)15-3-4-16-6-14-9(8(16)5-15)10(11,12)13;1-7(2)14-5-4-13(6-9(11)12)10(15)8(14)3;1-8(2)13-5-4-10-9(6-13)11-7-12(10)3;1-8(2)13-5-4-12-7-11-6-10(12)9(13)3;1-8(2)12-4-5-13-9(3)6-11-10(13)7-12;1-8(2)11-5-6-12(9-3-4-9)10(13)7-11;1-5-9-10(13)11(4)6-7-12(9)8(2)3;1-7(2)12-4-3-8-5-10-11-9(8)6-12;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;1-7(2)10-5-4-9(3)8(11)6-10/h11-13H,3-10H2,1-2H3;10-12H,3-9H2,1-2H3;6-8,11H,3-5H2,1-2H3,(H,12,13);8-10H,6-7H2,1-5H3;9-10H,5-8H2,1-4H3;8-10H,6-7H2,1-5H3;3-4,6,9H,5,7-8H2,1-2H3;6-7H,3-5H2,1-2H3;7-9H,4-6H2,1-3H3;7-8H,4-6H2,1-3H3;6-9H,4-5H2,1-3H3;6,8H,4-5,7H2,1-3H3;8-9H,3-7H2,1-2H3;8-9H,5-7H2,1-4H3;5,7H,3-4,6H2,1-2H3,(H,10,11);7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;7H,4-6H2,1-3H3/t;11-,12-;;9-,10+;;;;;;;;;;;;;;/m.0................/s1.
What are the key properties of 1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;methyl (3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;3-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-4-propan-2-ylpiperazin-2-one;[(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;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;methyl (3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;3-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-4-propan-2-ylpiperazin-2-one;[(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;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 3515.06 g/mol, XLogP of 23.37, 26 rotatable bonds, 2 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-propan-2-ylpiperazin-2-one;1-(2,2-difluoroethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;1,3-dimethyl-4-propan-2-ylpiperazin-2-one;3-ethyl-1-methyl-4-propan-2-ylpiperazin-2-one;1-(2-methoxyethyl)-3-methyl-4-propan-2-ylpiperazin-2-one;methyl (3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazine-1-carboxylate;3-methyl-1,4-di(propan-2-yl)piperazin-2-one;3-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;8-methyl-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-4-propan-2-ylpiperazin-2-one;[(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;6-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine;11-propan-2-yl-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;7-propan-2-yl-1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 160725569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).