1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dimethylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-methyl-6-(trifluoromethyl)phenyl]propan-1-one;1-[2-fluoro-5-[(3S,4R)-3-(1H-indazol-5-yloxymethyl)piperidin-4-yl]phenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;5-[[(3S,4R)-4-(4-methylphenyl)piperidin-3-yl]methoxy]-1H-indazole

C168H174Cl2F8N10O21 — CID 157381716

IUPAC1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dimethylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-methyl-6-(trifluoromethyl)phenyl]propan-1-one;1-[2-fluoro-5-[(3S,4R)-3-(1H-indazol-5-yloxymethyl)piperidin-4-yl]phenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;5-[[(3S,4R)-4-(4-methylphenyl)piperidin-3-yl]methoxy]-1H-indazole
SMILESCOc1cccc(C)c1CCC(=O)c1cc([C@@H]2CCNC[C@H]2COc2ccc3[nH]ncc3c2)ccc1F.COc1cccc(C)c1CCC(=O)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.Cc1ccc([C@@H]2CCNC[C@H]2COc2ccc3[nH]ncc3c2)cc1.Cc1cccc(C(F)(F)F)c1CCC(=O)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.Cc1cccc(C)c1CCC(=O)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.O=C(CCc1c(Cl)cccc1Cl)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F
InChIInChI=1S/C30H29F4NO4.C30H32FN3O3.C30H32FNO5.C30H32FNO4.C28H26Cl2FNO4.C20H23N3O/c1-18-3-2-4-25(30(32,33)34)22(18)7-9-27(36)24-13-19(5-8-26(24)31)23-11-12-35-15-20(23)16-37-21-6-10-28-29(14-21)39-17-38-28;1-19-4-3-5-30(36-2)24(19)8-11-29(35)26-15-20(6-9-27(26)31)25-12-13-32-16-22(25)18-37-23-7-10-28-21(14-23)17-33-34-28;1-19-4-3-5-28(34-2)23(19)8-10-27(33)25-14-20(6-9-26(25)31)24-12-13-32-16-21(24)17-35-22-7-11-29-30(15-22)37-18-36-29;1-19-4-3-5-20(2)24(19)8-10-28(33)26-14-21(6-9-27(26)31)25-12-13-32-16-22(25)17-34-23-7-11-29-30(15-23)36-18-35-29;29-23-2-1-3-24(30)21(23)6-8-26(33)22-12-17(4-7-25(22)31)20-10-11-32-14-18(20)15-34-19-5-9-27-28(13-19)36-16-35-27;1-14-2-4-15(5-3-14)19-8-9-21-11-17(19)13-24-18-6-7-20-16(10-18)12-22-23-20/h2-6,8,10,13-14,20,23,35H,7,9,11-12,15-17H2,1H3;3-7,9-10,14-15,17,22,25,32H,8,11-13,16,18H2,1-2H3,(H,33,34);3-7,9,11,14-15,21,24,32H,8,10,12-13,16-18H2,1-2H3;3-7,9,11,14-15,22,25,32H,8,10,12-13,16-18H2,1-2H3;1-5,7,9,12-13,18,20,32H,6,8,10-11,14-16H2;2-7,10,12,17,19,21H,8-9,11,13H2,1H3,(H,22,23)/t20-,23-;22-,25-;21-,24-;22-,25-;18-,20-;17-,19-/m000000/s1
InChIKeyBKYRBKRNUNAYJD-VNFVFTDVSA-N
MW2892.18 g/mol
LogP33.39
Rot. Bonds46

About 1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dimethylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-methyl-6-(trifluoromethyl)phenyl]propan-1-one;1-[2-fluoro-5-[(3S,4R)-3-(1H-indazol-5-yloxymethyl)piperidin-4-yl]phenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;5-[[(3S,4R)-4-(4-methylphenyl)piperidin-3-yl]methoxy]-1H-indazole

1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dimethylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-methyl-6-(trifluoromethyl)phenyl]propan-1-one;1-[2-fluoro-5-[(3S,4R)-3-(1H-indazol-5-yloxymethyl)piperidin-4-yl]phenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;5-[[(3S,4R)-4-(4-methylphenyl)piperidin-3-yl]methoxy]-1H-indazole (PubChem CID 157381716) has the molecular formula C168H174Cl2F8N10O21 and a molecular weight of 2892.18 g/mol. Its IUPAC name is 1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dimethylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-methyl-6-(trifluoromethyl)phenyl]propan-1-one;1-[2-fluoro-5-[(3S,4R)-3-(1H-indazol-5-yloxymethyl)piperidin-4-yl]phenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;5-[[(3S,4R)-4-(4-methylphenyl)piperidin-3-yl]methoxy]-1H-indazole.

Molecular Properties

Compound Name1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dimethylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-methyl-6-(trifluoromethyl)phenyl]propan-1-one;1-[2-fluoro-5-[(3S,4R)-3-(1H-indazol-5-yloxymethyl)piperidin-4-yl]phenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;5-[[(3S,4R)-4-(4-methylphenyl)piperidin-3-yl]methoxy]-1H-indazole
PubChem CID157381716
Molecular FormulaC168H174Cl2F8N10O21
Molecular Weight2892.18 g/mol
Exact Mass2889.21
IUPAC Name1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dimethylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-methyl-6-(trifluoromethyl)phenyl]propan-1-one;1-[2-fluoro-5-[(3S,4R)-3-(1H-indazol-5-yloxymethyl)piperidin-4-yl]phenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;5-[[(3S,4R)-4-(4-methylphenyl)piperidin-3-yl]methoxy]-1H-indazole
SMILESCOc1cccc(C)c1CCC(=O)c1cc([C@@H]2CCNC[C@H]2COc2ccc3[nH]ncc3c2)ccc1F.COc1cccc(C)c1CCC(=O)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.Cc1ccc([C@@H]2CCNC[C@H]2COc2ccc3[nH]ncc3c2)cc1.Cc1cccc(C(F)(F)F)c1CCC(=O)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.Cc1cccc(C)c1CCC(=O)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.O=C(CCc1c(Cl)cccc1Cl)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F
InChIInChI=1S/C30H29F4NO4.C30H32FN3O3.C30H32FNO5.C30H32FNO4.C28H26Cl2FNO4.C20H23N3O/c1-18-3-2-4-25(30(32,33)34)22(18)7-9-27(36)24-13-19(5-8-26(24)31)23-11-12-35-15-20(23)16-37-21-6-10-28-29(14-21)39-17-38-28;1-19-4-3-5-30(36-2)24(19)8-11-29(35)26-15-20(6-9-27(26)31)25-12-13-32-16-22(25)18-37-23-7-10-28-21(14-23)17-33-34-28;1-19-4-3-5-28(34-2)23(19)8-10-27(33)25-14-20(6-9-26(25)31)24-12-13-32-16-21(24)17-35-22-7-11-29-30(15-22)37-18-36-29;1-19-4-3-5-20(2)24(19)8-10-28(33)26-14-21(6-9-27(26)31)25-12-13-32-16-22(25)17-34-23-7-11-29-30(15-23)36-18-35-29;29-23-2-1-3-24(30)21(23)6-8-26(33)22-12-17(4-7-25(22)31)20-10-11-32-14-18(20)15-34-19-5-9-27-28(13-19)36-16-35-27;1-14-2-4-15(5-3-14)19-8-9-21-11-17(19)13-24-18-6-7-20-16(10-18)12-22-23-20/h2-6,8,10,13-14,20,23,35H,7,9,11-12,15-17H2,1H3;3-7,9-10,14-15,17,22,25,32H,8,11-13,16,18H2,1-2H3,(H,33,34);3-7,9,11,14-15,21,24,32H,8,10,12-13,16-18H2,1-2H3;3-7,9,11,14-15,22,25,32H,8,10,12-13,16-18H2,1-2H3;1-5,7,9,12-13,18,20,32H,6,8,10-11,14-16H2;2-7,10,12,17,19,21H,8-9,11,13H2,1H3,(H,22,23)/t20-,23-;22-,25-;21-,24-;22-,25-;18-,20-;17-,19-/m000000/s1
InChIKeyBKYRBKRNUNAYJD-VNFVFTDVSA-N
XLogP33.39
TPSA362.57 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds46
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002892.18
LogP ≤ 533.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze 1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dimethylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-methyl-6-(trifluoromethyl)phenyl]propan-1-one;1-[2-fluoro-5-[(3S,4R)-3-(1H-indazol-5-yloxymethyl)piperidin-4-yl]phenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;5-[[(3S,4R)-4-(4-methylphenyl)piperidin-3-yl]methoxy]-1H-indazole with MolForge

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Related Compounds

1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-4-phenylbutan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-phenylpropan-1-one;1-[2-fluoro-5-[(3S,4R)-3-(1H-indazol-5-yloxymethyl)piperidin-4-yl]phenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;5-[[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy]-1H-indazole
CID 157256808
1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;5-[[(3S,4R)-1-methyl-4-(4-methylphenyl)piperidin-3-yl]methoxy]-1H-indazole
CID 158569124
bis(1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-4-phenylbutan-1-one);tris(1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-phenylpropan-1-one);1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-4-pyridin-2-ylbutan-1-one;5-[[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy]-1H-indazole
CID 159677569
1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;1-[2-fluoro-5-[(3S,4R)-3-(1H-indazol-5-yloxymethyl)piperidin-4-yl]phenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one
CID 159762179

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dimethylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-methyl-6-(trifluoromethyl)phenyl]propan-1-one;1-[2-fluoro-5-[(3S,4R)-3-(1H-indazol-5-yloxymethyl)piperidin-4-yl]phenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;5-[[(3S,4R)-4-(4-methylphenyl)piperidin-3-yl]methoxy]-1H-indazole?
The IUPAC name of 1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dimethylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-methyl-6-(trifluoromethyl)phenyl]propan-1-one;1-[2-fluoro-5-[(3S,4R)-3-(1H-indazol-5-yloxymethyl)piperidin-4-yl]phenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;5-[[(3S,4R)-4-(4-methylphenyl)piperidin-3-yl]methoxy]-1H-indazole (CID 157381716) is 1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dimethylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-methyl-6-(trifluoromethyl)phenyl]propan-1-one;1-[2-fluoro-5-[(3S,4R)-3-(1H-indazol-5-yloxymethyl)piperidin-4-yl]phenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;5-[[(3S,4R)-4-(4-methylphenyl)piperidin-3-yl]methoxy]-1H-indazole.
What is the SMILES notation for 1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dimethylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-methyl-6-(trifluoromethyl)phenyl]propan-1-one;1-[2-fluoro-5-[(3S,4R)-3-(1H-indazol-5-yloxymethyl)piperidin-4-yl]phenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;5-[[(3S,4R)-4-(4-methylphenyl)piperidin-3-yl]methoxy]-1H-indazole?
The canonical SMILES for 1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dimethylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-methyl-6-(trifluoromethyl)phenyl]propan-1-one;1-[2-fluoro-5-[(3S,4R)-3-(1H-indazol-5-yloxymethyl)piperidin-4-yl]phenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;5-[[(3S,4R)-4-(4-methylphenyl)piperidin-3-yl]methoxy]-1H-indazole is COc1cccc(C)c1CCC(=O)c1cc([C@@H]2CCNC[C@H]2COc2ccc3[nH]ncc3c2)ccc1F.COc1cccc(C)c1CCC(=O)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.Cc1ccc([C@@H]2CCNC[C@H]2COc2ccc3[nH]ncc3c2)cc1.Cc1cccc(C(F)(F)F)c1CCC(=O)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.Cc1cccc(C)c1CCC(=O)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.O=C(CCc1c(Cl)cccc1Cl)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.
What is the InChIKey of 1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dimethylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-methyl-6-(trifluoromethyl)phenyl]propan-1-one;1-[2-fluoro-5-[(3S,4R)-3-(1H-indazol-5-yloxymethyl)piperidin-4-yl]phenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;5-[[(3S,4R)-4-(4-methylphenyl)piperidin-3-yl]methoxy]-1H-indazole?
The InChIKey is BKYRBKRNUNAYJD-VNFVFTDVSA-N. The full InChI is InChI=1S/C30H29F4NO4.C30H32FN3O3.C30H32FNO5.C30H32FNO4.C28H26Cl2FNO4.C20H23N3O/c1-18-3-2-4-25(30(32,33)34)22(18)7-9-27(36)24-13-19(5-8-26(24)31)23-11-12-35-15-20(23)16-37-21-6-10-28-29(14-21)39-17-38-28;1-19-4-3-5-30(36-2)24(19)8-11-29(35)26-15-20(6-9-27(26)31)25-12-13-32-16-22(25)18-37-23-7-10-28-21(14-23)17-33-34-28;1-19-4-3-5-28(34-2)23(19)8-10-27(33)25-14-20(6-9-26(25)31)24-12-13-32-16-21(24)17-35-22-7-11-29-30(15-22)37-18-36-29;1-19-4-3-5-20(2)24(19)8-10-28(33)26-14-21(6-9-27(26)31)25-12-13-32-16-22(25)17-34-23-7-11-29-30(15-23)36-18-35-29;29-23-2-1-3-24(30)21(23)6-8-26(33)22-12-17(4-7-25(22)31)20-10-11-32-14-18(20)15-34-19-5-9-27-28(13-19)36-16-35-27;1-14-2-4-15(5-3-14)19-8-9-21-11-17(19)13-24-18-6-7-20-16(10-18)12-22-23-20/h2-6,8,10,13-14,20,23,35H,7,9,11-12,15-17H2,1H3;3-7,9-10,14-15,17,22,25,32H,8,11-13,16,18H2,1-2H3,(H,33,34);3-7,9,11,14-15,21,24,32H,8,10,12-13,16-18H2,1-2H3;3-7,9,11,14-15,22,25,32H,8,10,12-13,16-18H2,1-2H3;1-5,7,9,12-13,18,20,32H,6,8,10-11,14-16H2;2-7,10,12,17,19,21H,8-9,11,13H2,1H3,(H,22,23)/t20-,23-;22-,25-;21-,24-;22-,25-;18-,20-;17-,19-/m000000/s1.
What are the key properties of 1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dimethylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-methyl-6-(trifluoromethyl)phenyl]propan-1-one;1-[2-fluoro-5-[(3S,4R)-3-(1H-indazol-5-yloxymethyl)piperidin-4-yl]phenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;5-[[(3S,4R)-4-(4-methylphenyl)piperidin-3-yl]methoxy]-1H-indazole?
1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dimethylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-methyl-6-(trifluoromethyl)phenyl]propan-1-one;1-[2-fluoro-5-[(3S,4R)-3-(1H-indazol-5-yloxymethyl)piperidin-4-yl]phenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;5-[[(3S,4R)-4-(4-methylphenyl)piperidin-3-yl]methoxy]-1H-indazole has a molecular weight of 2892.18 g/mol, XLogP of 33.39, 46 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dichlorophenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-dimethylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-methyl-6-(trifluoromethyl)phenyl]propan-1-one;1-[2-fluoro-5-[(3S,4R)-3-(1H-indazol-5-yloxymethyl)piperidin-4-yl]phenyl]-3-(2-methoxy-6-methylphenyl)propan-1-one;5-[[(3S,4R)-4-(4-methylphenyl)piperidin-3-yl]methoxy]-1H-indazole is sourced from PubChem (CID 157381716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).