1-[2-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2R)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-fluoro-1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-(2-fluoroprop-2-enoyl)-4-propan-2-ylpiperazin-2-yl]acetonitrile;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;bis(1-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);bis(1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-(4-propan-2-yl-1-prop-2-enoylpiperazin-2-yl)acetonitrile;1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one

C211H356F22N40O19 — CID 165011231

IUPAC1-[2-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2R)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-fluoro-1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-(2-fluoroprop-2-enoyl)-4-propan-2-ylpiperazin-2-yl]acetonitrile;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;bis(1-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);bis(1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-(4-propan-2-yl-1-prop-2-enoylpiperazin-2-yl)acetonitrile;1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one
SMILESC=C(F)C(=O)N1CCN(C(C)C)CC1.C=C(F)C(=O)N1CCN(C(C)C)CC1CC#N.C=C(F)C(=O)N1CCN(C(C)C)C[C@@H]1C(F)(F)F.C=C(F)C(=O)N1CCN(C(C)C)C[C@H]1C.C=C(F)C(=O)N1CCN(C(C)C)C[C@H]1C(F)(F)F.C=CC(=O)N1CCN(C(C)C)CC1.C=CC(=O)N1CCN(C(C)C)CC1C(F)(F)F.C=CC(=O)N1CCN(C(C)C)CC1C(F)F.C=CC(=O)N1CCN(C(C)C)CC1CC#N.C=CC(=O)N1CCN(C(C)C)C[C@@H]1C.C=CC(=O)N1CCN(C(C)C)C[C@@H]1C(F)(F)F.C=CC(=O)N1CCN(C(C)C)C[C@@H]1CC.C=CC(=O)N1CCN(C(C)C)C[C@H]1C.C=CC(=O)N1CCN(C(C)C)C[C@H]1C(F)(F)F.C=CC(=O)N1CCN(C(C)C)C[C@H]1CC.C=CC(=O)N1CCN(C(C)C)[C@@H](C)C1.C=CC(=O)N1CCN(C(C)C)[C@@H](C)C1.C=CC(=O)N1CCN(C(C)C)[C@H](C)C1.C=CC(=O)N1CCN(C(C)C)[C@H](C)C1
InChIInChI=1S/C12H18FN3O.C12H19N3O.2C12H22N2O.2C11H16F4N2O.3C11H17F3N2O.C11H18F2N2O.C11H19FN2O.6C11H20N2O.C10H17FN2O.C10H18N2O/c1-9(2)15-6-7-16(12(17)10(3)13)11(8-15)4-5-14;1-4-12(16)15-8-7-14(10(2)3)9-11(15)5-6-13;2*1-5-11-9-13(10(3)4)7-8-14(11)12(15)6-2;2*1-7(2)16-4-5-17(10(18)8(3)12)9(6-16)11(13,14)15;3*1-4-10(17)16-6-5-15(8(2)3)7-9(16)11(12,13)14;1-4-10(16)15-6-5-14(8(2)3)7-9(15)11(12)13;1-8(2)13-5-6-14(9(3)7-13)11(15)10(4)12;4*1-5-11(14)12-6-7-13(9(2)3)10(4)8-12;2*1-5-11(14)13-7-6-12(9(2)3)8-10(13)4;1-8(2)12-4-6-13(7-5-12)10(14)9(3)11;1-4-10(13)12-7-5-11(6-8-12)9(2)3/h9,11H,3-4,6-8H2,1-2H3;4,10-11H,1,5,7-9H2,2-3H3;2*6,10-11H,2,5,7-9H2,1,3-4H3;2*7,9H,3-6H2,1-2H3;3*4,8-9H,1,5-7H2,2-3H3;4,8-9,11H,1,5-7H2,2-3H3;8-9H,4-7H2,1-3H3;6*5,9-10H,1,6-8H2,2-4H3;8H,3-7H2,1-2H3;4,9H,1,5-8H2,2-3H3/t;;2*11-;4*9-;;;9-;6*10-;;/m..101010..1110010../s1
InChIKeyJSWPMOMRNBVGAE-YYBNZHTJSA-N
MW4175.39 g/mol
LogP25.39
Rot. Bonds43

About 1-[2-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2R)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-fluoro-1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-(2-fluoroprop-2-enoyl)-4-propan-2-ylpiperazin-2-yl]acetonitrile;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;bis(1-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);bis(1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-(4-propan-2-yl-1-prop-2-enoylpiperazin-2-yl)acetonitrile;1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one

1-[2-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2R)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-fluoro-1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-(2-fluoroprop-2-enoyl)-4-propan-2-ylpiperazin-2-yl]acetonitrile;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;bis(1-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);bis(1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-(4-propan-2-yl-1-prop-2-enoylpiperazin-2-yl)acetonitrile;1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 165011231) has the molecular formula C211H356F22N40O19 and a molecular weight of 4175.39 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2R)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-fluoro-1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-(2-fluoroprop-2-enoyl)-4-propan-2-ylpiperazin-2-yl]acetonitrile;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;bis(1-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);bis(1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-(4-propan-2-yl-1-prop-2-enoylpiperazin-2-yl)acetonitrile;1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2R)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-fluoro-1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-(2-fluoroprop-2-enoyl)-4-propan-2-ylpiperazin-2-yl]acetonitrile;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;bis(1-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);bis(1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-(4-propan-2-yl-1-prop-2-enoylpiperazin-2-yl)acetonitrile;1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one
PubChem CID165011231
Molecular FormulaC211H356F22N40O19
Molecular Weight4175.39 g/mol
Exact Mass4172.78
IUPAC Name1-[2-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2R)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-fluoro-1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-(2-fluoroprop-2-enoyl)-4-propan-2-ylpiperazin-2-yl]acetonitrile;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;bis(1-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);bis(1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-(4-propan-2-yl-1-prop-2-enoylpiperazin-2-yl)acetonitrile;1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one
SMILESC=C(F)C(=O)N1CCN(C(C)C)CC1.C=C(F)C(=O)N1CCN(C(C)C)CC1CC#N.C=C(F)C(=O)N1CCN(C(C)C)C[C@@H]1C(F)(F)F.C=C(F)C(=O)N1CCN(C(C)C)C[C@H]1C.C=C(F)C(=O)N1CCN(C(C)C)C[C@H]1C(F)(F)F.C=CC(=O)N1CCN(C(C)C)CC1.C=CC(=O)N1CCN(C(C)C)CC1C(F)(F)F.C=CC(=O)N1CCN(C(C)C)CC1C(F)F.C=CC(=O)N1CCN(C(C)C)CC1CC#N.C=CC(=O)N1CCN(C(C)C)C[C@@H]1C.C=CC(=O)N1CCN(C(C)C)C[C@@H]1C(F)(F)F.C=CC(=O)N1CCN(C(C)C)C[C@@H]1CC.C=CC(=O)N1CCN(C(C)C)C[C@H]1C.C=CC(=O)N1CCN(C(C)C)C[C@H]1C(F)(F)F.C=CC(=O)N1CCN(C(C)C)C[C@H]1CC.C=CC(=O)N1CCN(C(C)C)[C@@H](C)C1.C=CC(=O)N1CCN(C(C)C)[C@@H](C)C1.C=CC(=O)N1CCN(C(C)C)[C@H](C)C1.C=CC(=O)N1CCN(C(C)C)[C@H](C)C1
InChIInChI=1S/C12H18FN3O.C12H19N3O.2C12H22N2O.2C11H16F4N2O.3C11H17F3N2O.C11H18F2N2O.C11H19FN2O.6C11H20N2O.C10H17FN2O.C10H18N2O/c1-9(2)15-6-7-16(12(17)10(3)13)11(8-15)4-5-14;1-4-12(16)15-8-7-14(10(2)3)9-11(15)5-6-13;2*1-5-11-9-13(10(3)4)7-8-14(11)12(15)6-2;2*1-7(2)16-4-5-17(10(18)8(3)12)9(6-16)11(13,14)15;3*1-4-10(17)16-6-5-15(8(2)3)7-9(16)11(12,13)14;1-4-10(16)15-6-5-14(8(2)3)7-9(15)11(12)13;1-8(2)13-5-6-14(9(3)7-13)11(15)10(4)12;4*1-5-11(14)12-6-7-13(9(2)3)10(4)8-12;2*1-5-11(14)13-7-6-12(9(2)3)8-10(13)4;1-8(2)12-4-6-13(7-5-12)10(14)9(3)11;1-4-10(13)12-7-5-11(6-8-12)9(2)3/h9,11H,3-4,6-8H2,1-2H3;4,10-11H,1,5,7-9H2,2-3H3;2*6,10-11H,2,5,7-9H2,1,3-4H3;2*7,9H,3-6H2,1-2H3;3*4,8-9H,1,5-7H2,2-3H3;4,8-9,11H,1,5-7H2,2-3H3;8-9H,4-7H2,1-3H3;6*5,9-10H,1,6-8H2,2-4H3;8H,3-7H2,1-2H3;4,9H,1,5-8H2,2-3H3/t;;2*11-;4*9-;;;9-;6*10-;;/m..101010..1110010../s1
InChIKeyJSWPMOMRNBVGAE-YYBNZHTJSA-N
XLogP25.39
TPSA495.03 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds43
Heavy Atoms292
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004175.39
LogP ≤ 525.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 1-[2-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2R)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-fluoro-1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-(2-fluoroprop-2-enoyl)-4-propan-2-ylpiperazin-2-yl]acetonitrile;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;bis(1-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);bis(1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-(4-propan-2-yl-1-prop-2-enoylpiperazin-2-yl)acetonitrile;1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one 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

(Z)-4-(dimethylamino)-2-fluoro-1-(3-methyl-4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(Z)-4-(dimethylamino)-2-fluoro-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(dimethylamino)-1-(3-methyl-4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;(E)-4-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one;1-[2-(hydroxymethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[3-(hydroxymethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;bis(2-methylidene-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);1-(2-methyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-(3-methyl-4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 158030872
1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 156531720
(Z)-2-fluoro-4-[methyl-[3-(3-methyl-4-prop-2-enoylpiperazin-1-yl)butyl]amino]-1-(3-methyl-4-propan-2-ylpiperazin-1-yl)but-2-en-1-one
CID 174261079
1-[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 156511039
2-[1-(2-fluoroprop-2-enoyl)-4-methylpiperazin-2-yl]acetonitrile
CID 162736705
1-[3-(2,2-difluoroethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 135165412
(E)-5-(2-methyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)hex-2-en-1-one
CID 152978167
(2R)-4-propan-2-yl-1-prop-2-enoylpiperazine-2-carbonitrile
CID 167020513
1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 146395138
2-(4-tert-butyl-1-prop-2-enoylpiperidin-2-yl)acetonitrile
CID 155794380
2-methyl-4-prop-2-enoylpiperazine-1-carboxylic acid
CID 135149025
1-[(2S)-2,4-diethylpiperazin-1-yl]prop-2-en-1-one
CID 167152312

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2R)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-fluoro-1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-(2-fluoroprop-2-enoyl)-4-propan-2-ylpiperazin-2-yl]acetonitrile;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;bis(1-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);bis(1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-(4-propan-2-yl-1-prop-2-enoylpiperazin-2-yl)acetonitrile;1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[2-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2R)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-fluoro-1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-(2-fluoroprop-2-enoyl)-4-propan-2-ylpiperazin-2-yl]acetonitrile;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;bis(1-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);bis(1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-(4-propan-2-yl-1-prop-2-enoylpiperazin-2-yl)acetonitrile;1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one (CID 165011231) is 1-[2-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2R)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-fluoro-1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-(2-fluoroprop-2-enoyl)-4-propan-2-ylpiperazin-2-yl]acetonitrile;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;bis(1-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);bis(1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-(4-propan-2-yl-1-prop-2-enoylpiperazin-2-yl)acetonitrile;1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[2-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2R)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-fluoro-1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-(2-fluoroprop-2-enoyl)-4-propan-2-ylpiperazin-2-yl]acetonitrile;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;bis(1-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);bis(1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-(4-propan-2-yl-1-prop-2-enoylpiperazin-2-yl)acetonitrile;1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[2-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2R)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-fluoro-1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-(2-fluoroprop-2-enoyl)-4-propan-2-ylpiperazin-2-yl]acetonitrile;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;bis(1-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);bis(1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-(4-propan-2-yl-1-prop-2-enoylpiperazin-2-yl)acetonitrile;1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one is C=C(F)C(=O)N1CCN(C(C)C)CC1.C=C(F)C(=O)N1CCN(C(C)C)CC1CC#N.C=C(F)C(=O)N1CCN(C(C)C)C[C@@H]1C(F)(F)F.C=C(F)C(=O)N1CCN(C(C)C)C[C@H]1C.C=C(F)C(=O)N1CCN(C(C)C)C[C@H]1C(F)(F)F.C=CC(=O)N1CCN(C(C)C)CC1.C=CC(=O)N1CCN(C(C)C)CC1C(F)(F)F.C=CC(=O)N1CCN(C(C)C)CC1C(F)F.C=CC(=O)N1CCN(C(C)C)CC1CC#N.C=CC(=O)N1CCN(C(C)C)C[C@@H]1C.C=CC(=O)N1CCN(C(C)C)C[C@@H]1C(F)(F)F.C=CC(=O)N1CCN(C(C)C)C[C@@H]1CC.C=CC(=O)N1CCN(C(C)C)C[C@H]1C.C=CC(=O)N1CCN(C(C)C)C[C@H]1C(F)(F)F.C=CC(=O)N1CCN(C(C)C)C[C@H]1CC.C=CC(=O)N1CCN(C(C)C)[C@@H](C)C1.C=CC(=O)N1CCN(C(C)C)[C@@H](C)C1.C=CC(=O)N1CCN(C(C)C)[C@H](C)C1.C=CC(=O)N1CCN(C(C)C)[C@H](C)C1.
What is the InChIKey of 1-[2-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2R)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-fluoro-1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-(2-fluoroprop-2-enoyl)-4-propan-2-ylpiperazin-2-yl]acetonitrile;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;bis(1-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);bis(1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-(4-propan-2-yl-1-prop-2-enoylpiperazin-2-yl)acetonitrile;1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is JSWPMOMRNBVGAE-YYBNZHTJSA-N. The full InChI is InChI=1S/C12H18FN3O.C12H19N3O.2C12H22N2O.2C11H16F4N2O.3C11H17F3N2O.C11H18F2N2O.C11H19FN2O.6C11H20N2O.C10H17FN2O.C10H18N2O/c1-9(2)15-6-7-16(12(17)10(3)13)11(8-15)4-5-14;1-4-12(16)15-8-7-14(10(2)3)9-11(15)5-6-13;2*1-5-11-9-13(10(3)4)7-8-14(11)12(15)6-2;2*1-7(2)16-4-5-17(10(18)8(3)12)9(6-16)11(13,14)15;3*1-4-10(17)16-6-5-15(8(2)3)7-9(16)11(12,13)14;1-4-10(16)15-6-5-14(8(2)3)7-9(15)11(12)13;1-8(2)13-5-6-14(9(3)7-13)11(15)10(4)12;4*1-5-11(14)12-6-7-13(9(2)3)10(4)8-12;2*1-5-11(14)13-7-6-12(9(2)3)8-10(13)4;1-8(2)12-4-6-13(7-5-12)10(14)9(3)11;1-4-10(13)12-7-5-11(6-8-12)9(2)3/h9,11H,3-4,6-8H2,1-2H3;4,10-11H,1,5,7-9H2,2-3H3;2*6,10-11H,2,5,7-9H2,1,3-4H3;2*7,9H,3-6H2,1-2H3;3*4,8-9H,1,5-7H2,2-3H3;4,8-9,11H,1,5-7H2,2-3H3;8-9H,4-7H2,1-3H3;6*5,9-10H,1,6-8H2,2-4H3;8H,3-7H2,1-2H3;4,9H,1,5-8H2,2-3H3/t;;2*11-;4*9-;;;9-;6*10-;;/m..101010..1110010../s1.
What are the key properties of 1-[2-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2R)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-fluoro-1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-(2-fluoroprop-2-enoyl)-4-propan-2-ylpiperazin-2-yl]acetonitrile;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;bis(1-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);bis(1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-(4-propan-2-yl-1-prop-2-enoylpiperazin-2-yl)acetonitrile;1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one?
1-[2-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2R)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-fluoro-1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-(2-fluoroprop-2-enoyl)-4-propan-2-ylpiperazin-2-yl]acetonitrile;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;bis(1-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);bis(1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-(4-propan-2-yl-1-prop-2-enoylpiperazin-2-yl)acetonitrile;1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 4175.39 g/mol, XLogP of 25.39, 43 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2R)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-ethyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;2-fluoro-1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-fluoro-1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-fluoro-1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;2-[1-(2-fluoroprop-2-enoyl)-4-propan-2-ylpiperazin-2-yl]acetonitrile;1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;1-[(2S)-2-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one;bis(1-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);bis(1-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]prop-2-en-1-one);1-(4-propan-2-ylpiperazin-1-yl)prop-2-en-1-one;2-(4-propan-2-yl-1-prop-2-enoylpiperazin-2-yl)acetonitrile;1-[(2R)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2S)-4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one;1-[4-propan-2-yl-2-(trifluoromethyl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 165011231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).