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

C164H168Cl2F6N10O21 — CID 157256808

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-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
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.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3[nH]ncc3c2)cc1.O=C(CCCc1ccccc1)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.O=C(CCc1ccccc1)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F
InChIInChI=1S/C30H32FN3O3.C30H32FNO5.C29H30FNO4.C28H26Cl2FNO4.C28H28FNO4.C19H20FN3O/c1-19-4-3-5-30(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;30-26-11-9-21(15-25(26)27(32)8-4-7-20-5-2-1-3-6-20)24-13-14-31-17-22(24)18-33-23-10-12-28-29(16-23)35-19-34-28;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;29-25-9-7-20(14-24(25)26(31)10-6-19-4-2-1-3-5-19)23-12-13-30-16-21(23)17-32-22-8-11-27-28(15-22)34-18-33-27;20-16-3-1-13(2-4-16)18-7-8-21-10-15(18)12-24-17-5-6-19-14(9-17)11-22-23-19/h3-7,9-10,14-15,17,22,25,32H,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;1-3,5-6,9-12,15-16,22,24,31H,4,7-8,13-14,17-19H2;1-5,7,9,12-13,18,20,32H,6,8,10-11,14-16H2;1-5,7-9,11,14-15,21,23,30H,6,10,12-13,16-18H2;1-6,9,11,15,18,21H,7-8,10,12H2,(H,22,23)/t22-,25-;21-,24-;22-,24-;18-,20-;21-,23-;15-,18-/m000000/s1
InChIKeyAWZGNBDVSINRGN-AKYWGEFHSA-N
MW2800.09 g/mol
LogP31.66
Rot. Bonds47

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-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

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 (PubChem CID 157256808) has the molecular formula C164H168Cl2F6N10O21 and a molecular weight of 2800.09 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-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.

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-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
PubChem CID157256808
Molecular FormulaC164H168Cl2F6N10O21
Molecular Weight2800.09 g/mol
Exact Mass2797.17
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-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
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.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3[nH]ncc3c2)cc1.O=C(CCCc1ccccc1)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.O=C(CCc1ccccc1)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F
InChIInChI=1S/C30H32FN3O3.C30H32FNO5.C29H30FNO4.C28H26Cl2FNO4.C28H28FNO4.C19H20FN3O/c1-19-4-3-5-30(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;30-26-11-9-21(15-25(26)27(32)8-4-7-20-5-2-1-3-6-20)24-13-14-31-17-22(24)18-33-23-10-12-28-29(16-23)35-19-34-28;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;29-25-9-7-20(14-24(25)26(31)10-6-19-4-2-1-3-5-19)23-12-13-30-16-21(23)17-32-22-8-11-27-28(15-22)34-18-33-27;20-16-3-1-13(2-4-16)18-7-8-21-10-15(18)12-24-17-5-6-19-14(9-17)11-22-23-19/h3-7,9-10,14-15,17,22,25,32H,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;1-3,5-6,9-12,15-16,22,24,31H,4,7-8,13-14,17-19H2;1-5,7,9,12-13,18,20,32H,6,8,10-11,14-16H2;1-5,7-9,11,14-15,21,23,30H,6,10,12-13,16-18H2;1-6,9,11,15,18,21H,7-8,10,12H2,(H,22,23)/t22-,25-;21-,24-;22-,24-;18-,20-;21-,23-;15-,18-/m000000/s1
InChIKeyAWZGNBDVSINRGN-AKYWGEFHSA-N
XLogP31.66
TPSA362.57 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds47
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002800.09
LogP ≤ 531.66
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-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 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-(2,6-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
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-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?
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-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) 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-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.
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-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?
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-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 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.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3[nH]ncc3c2)cc1.O=C(CCCc1ccccc1)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.O=C(CCc1ccccc1)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-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?
The InChIKey is AWZGNBDVSINRGN-AKYWGEFHSA-N. The full InChI is InChI=1S/C30H32FN3O3.C30H32FNO5.C29H30FNO4.C28H26Cl2FNO4.C28H28FNO4.C19H20FN3O/c1-19-4-3-5-30(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;30-26-11-9-21(15-25(26)27(32)8-4-7-20-5-2-1-3-6-20)24-13-14-31-17-22(24)18-33-23-10-12-28-29(16-23)35-19-34-28;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;29-25-9-7-20(14-24(25)26(31)10-6-19-4-2-1-3-5-19)23-12-13-30-16-21(23)17-32-22-8-11-27-28(15-22)34-18-33-27;20-16-3-1-13(2-4-16)18-7-8-21-10-15(18)12-24-17-5-6-19-14(9-17)11-22-23-19/h3-7,9-10,14-15,17,22,25,32H,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;1-3,5-6,9-12,15-16,22,24,31H,4,7-8,13-14,17-19H2;1-5,7,9,12-13,18,20,32H,6,8,10-11,14-16H2;1-5,7-9,11,14-15,21,23,30H,6,10,12-13,16-18H2;1-6,9,11,15,18,21H,7-8,10,12H2,(H,22,23)/t22-,25-;21-,24-;22-,24-;18-,20-;21-,23-;15-,18-/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-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?
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 has a molecular weight of 2800.09 g/mol, XLogP of 31.66, 47 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-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 is sourced from PubChem (CID 157256808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).