[(2R)-2-(4-chloro-2-fluorophenyl)cyclopropyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;[4-(5-chloro-2-fluorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S)-2-(4-fluorophenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[(1R)-2-(4-fluorophenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(2R)-2-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C220H223Cl6F32N21O10 — CID 158921678

IUPAC[(2R)-2-(4-chloro-2-fluorophenyl)cyclopropyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;[4-(5-chloro-2-fluorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S)-2-(4-fluorophenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[(1R)-2-(4-fluorophenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(2R)-2-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCc1cc([C@@H]2CC2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C)CC2)cc(C(F)(F)F)c1.Cc1ccc(C(F)(F)F)cc1N1CCN(C(=O)[C@@H]2CC2c2ccc(F)cc2)CC1.Cc1ccc(Cl)cc1N1CCN(C(=O)C2C[C@H]2c2ccc(Cl)cc2F)CC1.Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C)CC2)cc1.Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C)CC2)cn1.Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1.Cc1ccc([C@H]2C[C@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C)CC2)cc1.Cc1ccc([C@H]2C[C@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1.O=C(C1CC1c1ccc(F)cc1)N1CCN(c2cc(Cl)ccc2F)CC1.O=C([C@H]1CC1c1ccc(F)cc1)N1CCN(c2cc(Cl)ccc2C(F)(F)F)CC1
InChIInChI=1S/C24H24F6N2O.2C23H25F3N2O.2C22H22ClF3N2O.C22H22F4N2O.C22H24F3N3O.C21H21Cl2FN2O.C21H19ClF4N2O.C20H19ClF2N2O/c1-14-9-16(11-18(10-14)24(28,29)30)19-13-20(19)22(33)32-7-5-31(6-8-32)21-12-17(23(25,26)27)4-3-15(21)2;2*1-15-3-6-17(7-4-15)19-14-20(19)22(29)28-11-9-27(10-12-28)21-13-18(23(24,25)26)8-5-16(21)2;2*1-14-2-4-15(5-3-14)17-13-18(17)21(29)28-10-8-27(9-11-28)20-12-16(22(24,25)26)6-7-19(20)23;1-14-2-5-16(22(24,25)26)12-20(14)27-8-10-28(11-9-27)21(29)19-13-18(19)15-3-6-17(23)7-4-15;1-14-3-6-17(22(23,24)25)11-20(14)27-7-9-28(10-8-27)21(29)19-12-18(19)16-5-4-15(2)26-13-16;1-13-2-3-15(23)11-20(13)25-6-8-26(9-7-25)21(27)18-12-17(18)16-5-4-14(22)10-19(16)24;22-14-3-6-18(21(24,25)26)19(11-14)27-7-9-28(10-8-27)20(29)17-12-16(17)13-1-4-15(23)5-2-13;21-14-3-6-18(23)19(11-14)24-7-9-25(10-8-24)20(26)17-12-16(17)13-1-4-15(22)5-2-13/h3-4,9-12,19-20H,5-8,13H2,1-2H3;2*3-8,13,19-20H,9-12,14H2,1-2H3;2*2-7,12,17-18H,8-11,13H2,1H3;2-7,12,18-19H,8-11,13H2,1H3;3-6,11,13,18-19H,7-10,12H2,1-2H3;2-5,10-11,17-18H,6-9,12H2,1H3;1-6,11,16-17H,7-10,12H2;1-6,11,16-17H,7-10,12H2/t19-,20?;2*19-,20-;2*17-,18-;18?,19-;18-,19-;17-,18?;16?,17-;/m010101000./s1
InChIKeyJHXJAJRUNIMUIQ-YUZNSSNASA-N
MW4141.99 g/mol
LogP48.27
Rot. Bonds30

About [(2R)-2-(4-chloro-2-fluorophenyl)cyclopropyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;[4-(5-chloro-2-fluorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S)-2-(4-fluorophenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[(1R)-2-(4-fluorophenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(2R)-2-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

[(2R)-2-(4-chloro-2-fluorophenyl)cyclopropyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;[4-(5-chloro-2-fluorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S)-2-(4-fluorophenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[(1R)-2-(4-fluorophenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(2R)-2-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 158921678) has the molecular formula C220H223Cl6F32N21O10 and a molecular weight of 4141.99 g/mol. Its IUPAC name is [(2R)-2-(4-chloro-2-fluorophenyl)cyclopropyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;[4-(5-chloro-2-fluorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S)-2-(4-fluorophenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[(1R)-2-(4-fluorophenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(2R)-2-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(4-chloro-2-fluorophenyl)cyclopropyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;[4-(5-chloro-2-fluorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S)-2-(4-fluorophenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[(1R)-2-(4-fluorophenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(2R)-2-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID158921678
Molecular FormulaC220H223Cl6F32N21O10
Molecular Weight4141.99 g/mol
Exact Mass4136.52
IUPAC Name[(2R)-2-(4-chloro-2-fluorophenyl)cyclopropyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;[4-(5-chloro-2-fluorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S)-2-(4-fluorophenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[(1R)-2-(4-fluorophenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(2R)-2-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCc1cc([C@@H]2CC2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C)CC2)cc(C(F)(F)F)c1.Cc1ccc(C(F)(F)F)cc1N1CCN(C(=O)[C@@H]2CC2c2ccc(F)cc2)CC1.Cc1ccc(Cl)cc1N1CCN(C(=O)C2C[C@H]2c2ccc(Cl)cc2F)CC1.Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C)CC2)cc1.Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C)CC2)cn1.Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1.Cc1ccc([C@H]2C[C@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C)CC2)cc1.Cc1ccc([C@H]2C[C@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1.O=C(C1CC1c1ccc(F)cc1)N1CCN(c2cc(Cl)ccc2F)CC1.O=C([C@H]1CC1c1ccc(F)cc1)N1CCN(c2cc(Cl)ccc2C(F)(F)F)CC1
InChIInChI=1S/C24H24F6N2O.2C23H25F3N2O.2C22H22ClF3N2O.C22H22F4N2O.C22H24F3N3O.C21H21Cl2FN2O.C21H19ClF4N2O.C20H19ClF2N2O/c1-14-9-16(11-18(10-14)24(28,29)30)19-13-20(19)22(33)32-7-5-31(6-8-32)21-12-17(23(25,26)27)4-3-15(21)2;2*1-15-3-6-17(7-4-15)19-14-20(19)22(29)28-11-9-27(10-12-28)21-13-18(23(24,25)26)8-5-16(21)2;2*1-14-2-4-15(5-3-14)17-13-18(17)21(29)28-10-8-27(9-11-28)20-12-16(22(24,25)26)6-7-19(20)23;1-14-2-5-16(22(24,25)26)12-20(14)27-8-10-28(11-9-27)21(29)19-13-18(19)15-3-6-17(23)7-4-15;1-14-3-6-17(22(23,24)25)11-20(14)27-7-9-28(10-8-27)21(29)19-12-18(19)16-5-4-15(2)26-13-16;1-13-2-3-15(23)11-20(13)25-6-8-26(9-7-25)21(27)18-12-17(18)16-5-4-14(22)10-19(16)24;22-14-3-6-18(21(24,25)26)19(11-14)27-7-9-28(10-8-27)20(29)17-12-16(17)13-1-4-15(23)5-2-13;21-14-3-6-18(23)19(11-14)24-7-9-25(10-8-24)20(26)17-12-16(17)13-1-4-15(22)5-2-13/h3-4,9-12,19-20H,5-8,13H2,1-2H3;2*3-8,13,19-20H,9-12,14H2,1-2H3;2*2-7,12,17-18H,8-11,13H2,1H3;2-7,12,18-19H,8-11,13H2,1H3;3-6,11,13,18-19H,7-10,12H2,1-2H3;2-5,10-11,17-18H,6-9,12H2,1H3;1-6,11,16-17H,7-10,12H2;1-6,11,16-17H,7-10,12H2/t19-,20?;2*19-,20-;2*17-,18-;18?,19-;18-,19-;17-,18?;16?,17-;/m010101000./s1
InChIKeyJHXJAJRUNIMUIQ-YUZNSSNASA-N
XLogP48.27
TPSA248.39 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds30
Heavy Atoms289
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004141.99
LogP ≤ 548.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze [(2R)-2-(4-chloro-2-fluorophenyl)cyclopropyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;[4-(5-chloro-2-fluorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S)-2-(4-fluorophenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[(1R)-2-(4-fluorophenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(2R)-2-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-chloro-2-fluorophenyl)cyclopropyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;[4-(5-chloro-2-fluorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S)-2-(4-fluorophenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[(1R)-2-(4-fluorophenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(2R)-2-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of [(2R)-2-(4-chloro-2-fluorophenyl)cyclopropyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;[4-(5-chloro-2-fluorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S)-2-(4-fluorophenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[(1R)-2-(4-fluorophenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(2R)-2-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 158921678) is [(2R)-2-(4-chloro-2-fluorophenyl)cyclopropyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;[4-(5-chloro-2-fluorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S)-2-(4-fluorophenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[(1R)-2-(4-fluorophenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(2R)-2-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(2R)-2-(4-chloro-2-fluorophenyl)cyclopropyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;[4-(5-chloro-2-fluorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S)-2-(4-fluorophenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[(1R)-2-(4-fluorophenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(2R)-2-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for [(2R)-2-(4-chloro-2-fluorophenyl)cyclopropyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;[4-(5-chloro-2-fluorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S)-2-(4-fluorophenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[(1R)-2-(4-fluorophenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(2R)-2-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is Cc1cc([C@@H]2CC2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C)CC2)cc(C(F)(F)F)c1.Cc1ccc(C(F)(F)F)cc1N1CCN(C(=O)[C@@H]2CC2c2ccc(F)cc2)CC1.Cc1ccc(Cl)cc1N1CCN(C(=O)C2C[C@H]2c2ccc(Cl)cc2F)CC1.Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C)CC2)cc1.Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C)CC2)cn1.Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1.Cc1ccc([C@H]2C[C@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3C)CC2)cc1.Cc1ccc([C@H]2C[C@H]2C(=O)N2CCN(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1.O=C(C1CC1c1ccc(F)cc1)N1CCN(c2cc(Cl)ccc2F)CC1.O=C([C@H]1CC1c1ccc(F)cc1)N1CCN(c2cc(Cl)ccc2C(F)(F)F)CC1.
What is the InChIKey of [(2R)-2-(4-chloro-2-fluorophenyl)cyclopropyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;[4-(5-chloro-2-fluorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S)-2-(4-fluorophenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[(1R)-2-(4-fluorophenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(2R)-2-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is JHXJAJRUNIMUIQ-YUZNSSNASA-N. The full InChI is InChI=1S/C24H24F6N2O.2C23H25F3N2O.2C22H22ClF3N2O.C22H22F4N2O.C22H24F3N3O.C21H21Cl2FN2O.C21H19ClF4N2O.C20H19ClF2N2O/c1-14-9-16(11-18(10-14)24(28,29)30)19-13-20(19)22(33)32-7-5-31(6-8-32)21-12-17(23(25,26)27)4-3-15(21)2;2*1-15-3-6-17(7-4-15)19-14-20(19)22(29)28-11-9-27(10-12-28)21-13-18(23(24,25)26)8-5-16(21)2;2*1-14-2-4-15(5-3-14)17-13-18(17)21(29)28-10-8-27(9-11-28)20-12-16(22(24,25)26)6-7-19(20)23;1-14-2-5-16(22(24,25)26)12-20(14)27-8-10-28(11-9-27)21(29)19-13-18(19)15-3-6-17(23)7-4-15;1-14-3-6-17(22(23,24)25)11-20(14)27-7-9-28(10-8-27)21(29)19-12-18(19)16-5-4-15(2)26-13-16;1-13-2-3-15(23)11-20(13)25-6-8-26(9-7-25)21(27)18-12-17(18)16-5-4-14(22)10-19(16)24;22-14-3-6-18(21(24,25)26)19(11-14)27-7-9-28(10-8-27)20(29)17-12-16(17)13-1-4-15(23)5-2-13;21-14-3-6-18(23)19(11-14)24-7-9-25(10-8-24)20(26)17-12-16(17)13-1-4-15(22)5-2-13/h3-4,9-12,19-20H,5-8,13H2,1-2H3;2*3-8,13,19-20H,9-12,14H2,1-2H3;2*2-7,12,17-18H,8-11,13H2,1H3;2-7,12,18-19H,8-11,13H2,1H3;3-6,11,13,18-19H,7-10,12H2,1-2H3;2-5,10-11,17-18H,6-9,12H2,1H3;1-6,11,16-17H,7-10,12H2;1-6,11,16-17H,7-10,12H2/t19-,20?;2*19-,20-;2*17-,18-;18?,19-;18-,19-;17-,18?;16?,17-;/m010101000./s1.
What are the key properties of [(2R)-2-(4-chloro-2-fluorophenyl)cyclopropyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;[4-(5-chloro-2-fluorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S)-2-(4-fluorophenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[(1R)-2-(4-fluorophenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(2R)-2-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
[(2R)-2-(4-chloro-2-fluorophenyl)cyclopropyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;[4-(5-chloro-2-fluorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S)-2-(4-fluorophenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[(1R)-2-(4-fluorophenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(2R)-2-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 4141.99 g/mol, XLogP of 48.27, 30 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-chloro-2-fluorophenyl)cyclopropyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;[4-(5-chloro-2-fluorophenyl)piperazin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone;[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S)-2-(4-fluorophenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanone;[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1R,2S)-2-(4-methylphenyl)cyclopropyl]methanone;[(1R)-2-(4-fluorophenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1R,2S)-2-(4-methylphenyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[(2R)-2-[3-methyl-5-(trifluoromethyl)phenyl]cyclopropyl]-[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 158921678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).