1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone

C182H188F9N25O11S3 — CID 164996994

IUPAC1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1cc(F)c2nc(N3CCN(C(=O)Cc4ccc(C5CC5)c(F)c4)CC3)sc2c1.Cc1ccc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)c(F)c4)CC3)oc2c1.Cc1ccc2oc(N3CCN(C(=O)Cc4ccc(C5CC5)c(F)c4)CC3)nc2c1.Cc1ccc2sc(N3CCN(C(=O)Cc4ccc(C5CC5)c(F)c4)CC3)nc2c1.Cn1c(N2CCN(C(=O)Cc3ccc(C4CC4)c(F)c3)CC2)nc2ccccc21.O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(C2=Nc3ccccc3C2)CC1.O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(c2nc3ccccc3o2)CC1.O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C23H23F2N3OS.C23H25FN4O.2C23H24FN3O2.C23H24FN3OS.C23H24FN3O.C22H22FN3O2.C22H22FN3OS/c1-14-10-19(25)22-20(11-14)30-23(26-22)28-8-6-27(7-9-28)21(29)13-15-2-5-17(16-3-4-16)18(24)12-15;1-26-21-5-3-2-4-20(21)25-23(26)28-12-10-27(11-13-28)22(29)15-16-6-9-18(17-7-8-17)19(24)14-16;1-15-2-7-21-20(12-15)25-23(29-21)27-10-8-26(9-11-27)22(28)14-16-3-6-18(17-4-5-17)19(24)13-16;1-15-2-7-20-21(12-15)29-23(25-20)27-10-8-26(9-11-27)22(28)14-16-3-6-18(17-4-5-17)19(24)13-16;1-15-2-7-21-20(12-15)25-23(29-21)27-10-8-26(9-11-27)22(28)14-16-3-6-18(17-4-5-17)19(24)13-16;24-20-13-16(5-8-19(20)17-6-7-17)14-23(28)27-11-9-26(10-12-27)22-15-18-3-1-2-4-21(18)25-22;2*23-18-13-15(5-8-17(18)16-6-7-16)14-21(27)25-9-11-26(12-10-25)22-24-19-3-1-2-4-20(19)28-22/h2,5,10-12,16H,3-4,6-9,13H2,1H3;2-6,9,14,17H,7-8,10-13,15H2,1H3;3*2-3,6-7,12-13,17H,4-5,8-11,14H2,1H3;1-5,8,13,17H,6-7,9-12,14-15H2;2*1-5,8,13,16H,6-7,9-12,14H2
InChIKeyHRQZBLLDRLKMIO-UHFFFAOYSA-N
MW3168.85 g/mol
LogP32.35
Rot. Bonds31

About 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone

1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 164996994) has the molecular formula C182H188F9N25O11S3 and a molecular weight of 3168.85 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone
PubChem CID164996994
Molecular FormulaC182H188F9N25O11S3
Molecular Weight3168.85 g/mol
Exact Mass3166.39
IUPAC Name1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1cc(F)c2nc(N3CCN(C(=O)Cc4ccc(C5CC5)c(F)c4)CC3)sc2c1.Cc1ccc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)c(F)c4)CC3)oc2c1.Cc1ccc2oc(N3CCN(C(=O)Cc4ccc(C5CC5)c(F)c4)CC3)nc2c1.Cc1ccc2sc(N3CCN(C(=O)Cc4ccc(C5CC5)c(F)c4)CC3)nc2c1.Cn1c(N2CCN(C(=O)Cc3ccc(C4CC4)c(F)c3)CC2)nc2ccccc21.O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(C2=Nc3ccccc3C2)CC1.O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(c2nc3ccccc3o2)CC1.O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C23H23F2N3OS.C23H25FN4O.2C23H24FN3O2.C23H24FN3OS.C23H24FN3O.C22H22FN3O2.C22H22FN3OS/c1-14-10-19(25)22-20(11-14)30-23(26-22)28-8-6-27(7-9-28)21(29)13-15-2-5-17(16-3-4-16)18(24)12-15;1-26-21-5-3-2-4-20(21)25-23(26)28-12-10-27(11-13-28)22(29)15-16-6-9-18(17-7-8-17)19(24)14-16;1-15-2-7-21-20(12-15)25-23(29-21)27-10-8-26(9-11-27)22(28)14-16-3-6-18(17-4-5-17)19(24)13-16;1-15-2-7-20-21(12-15)29-23(25-20)27-10-8-26(9-11-27)22(28)14-16-3-6-18(17-4-5-17)19(24)13-16;1-15-2-7-21-20(12-15)25-23(29-21)27-10-8-26(9-11-27)22(28)14-16-3-6-18(17-4-5-17)19(24)13-16;24-20-13-16(5-8-19(20)17-6-7-17)14-23(28)27-11-9-26(10-12-27)22-15-18-3-1-2-4-21(18)25-22;2*23-18-13-15(5-8-17(18)16-6-7-16)14-21(27)25-9-11-26(12-10-25)22-24-19-3-1-2-4-20(19)28-22/h2,5,10-12,16H,3-4,6-9,13H2,1H3;2-6,9,14,17H,7-8,10-13,15H2,1H3;3*2-3,6-7,12-13,17H,4-5,8-11,14H2,1H3;1-5,8,13,17H,6-7,9-12,14-15H2;2*1-5,8,13,16H,6-7,9-12,14H2
InChIKeyHRQZBLLDRLKMIO-UHFFFAOYSA-N
XLogP32.35
TPSA335.34 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds31
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003168.85
LogP ≤ 532.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(4-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone
CID 155161689
2-(4-cyclopropylphenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone
CID 164971057
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 164951191
1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(3,4-dichlorophenyl)ethanone
CID 171357656
2-(3,4-diethoxyphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone
CID 46375629
4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-1-methylpyrimidin-2-one
CID 178096352
(4-benzhydrylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 90611224
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 70738719
1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-thiophen-3-ylethanone
CID 77088988
[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 7539565
2-(3,4-dimethylphenyl)-1-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 16938729
3-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-1-methylquinoxalin-2-one
CID 46979077

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone (CID 164996994) is 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone is Cc1cc(F)c2nc(N3CCN(C(=O)Cc4ccc(C5CC5)c(F)c4)CC3)sc2c1.Cc1ccc2nc(N3CCN(C(=O)Cc4ccc(C5CC5)c(F)c4)CC3)oc2c1.Cc1ccc2oc(N3CCN(C(=O)Cc4ccc(C5CC5)c(F)c4)CC3)nc2c1.Cc1ccc2sc(N3CCN(C(=O)Cc4ccc(C5CC5)c(F)c4)CC3)nc2c1.Cn1c(N2CCN(C(=O)Cc3ccc(C4CC4)c(F)c3)CC2)nc2ccccc21.O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(C2=Nc3ccccc3C2)CC1.O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(c2nc3ccccc3o2)CC1.O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is HRQZBLLDRLKMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3OS.C23H25FN4O.2C23H24FN3O2.C23H24FN3OS.C23H24FN3O.C22H22FN3O2.C22H22FN3OS/c1-14-10-19(25)22-20(11-14)30-23(26-22)28-8-6-27(7-9-28)21(29)13-15-2-5-17(16-3-4-16)18(24)12-15;1-26-21-5-3-2-4-20(21)25-23(26)28-12-10-27(11-13-28)22(29)15-16-6-9-18(17-7-8-17)19(24)14-16;1-15-2-7-21-20(12-15)25-23(29-21)27-10-8-26(9-11-27)22(28)14-16-3-6-18(17-4-5-17)19(24)13-16;1-15-2-7-20-21(12-15)29-23(25-20)27-10-8-26(9-11-27)22(28)14-16-3-6-18(17-4-5-17)19(24)13-16;1-15-2-7-21-20(12-15)25-23(29-21)27-10-8-26(9-11-27)22(28)14-16-3-6-18(17-4-5-17)19(24)13-16;24-20-13-16(5-8-19(20)17-6-7-17)14-23(28)27-11-9-26(10-12-27)22-15-18-3-1-2-4-21(18)25-22;2*23-18-13-15(5-8-17(18)16-6-7-16)14-21(27)25-9-11-26(12-10-25)22-24-19-3-1-2-4-20(19)28-22/h2,5,10-12,16H,3-4,6-9,13H2,1H3;2-6,9,14,17H,7-8,10-13,15H2,1H3;3*2-3,6-7,12-13,17H,4-5,8-11,14H2,1H3;1-5,8,13,17H,6-7,9-12,14-15H2;2*1-5,8,13,16H,6-7,9-12,14H2.
What are the key properties of 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone?
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 3168.85 g/mol, XLogP of 32.35, 31 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(4-fluoro-6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(3H-indol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;2-(4-cyclopropyl-3-fluorophenyl)-1-[4-(6-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 164996994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).