1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-4-(2,6-difluorophenyl)butan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-difluorophenyl)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-methoxyphenyl)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-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-2-(1H-pyrrol-3-yl)ethanone;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-(trifluoromethyl)phenyl]propan-1-one

C200H197F17N8O29 — CID 159034933

IUPAC1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-4-(2,6-difluorophenyl)butan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-difluorophenyl)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-methoxyphenyl)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-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-2-(1H-pyrrol-3-yl)ethanone;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-(trifluoromethyl)phenyl]propan-1-one
SMILESCOc1ccccc1CCC(=O)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.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(CCCc1c(F)cccc1F)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.O=C(CCc1c(F)cccc1F)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.O=C(CCc1ccccc1C(F)(F)F)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.O=C(Cc1cc[nH]c1)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F
InChIInChI=1S/C30H29F4NO4.C30H32FNO4.C29H27F4NO4.C29H28F3NO4.C29H30FNO5.C28H26F3NO4.C25H25FN2O4/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;1-19-4-3-5-20(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;30-25-8-5-19(13-23(25)26(35)9-6-18-3-1-2-4-24(18)29(31,32)33)22-11-12-34-15-20(22)16-36-21-7-10-27-28(14-21)38-17-37-27;30-24-4-2-5-25(31)22(24)3-1-6-27(34)23-13-18(7-9-26(23)32)21-11-12-33-15-19(21)16-35-20-8-10-28-29(14-20)37-17-36-28;1-33-27-5-3-2-4-19(27)7-10-26(32)24-14-20(6-9-25(24)30)23-12-13-31-16-21(23)17-34-22-8-11-28-29(15-22)36-18-35-28;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;26-22-3-1-17(10-21(22)23(29)9-16-5-7-27-12-16)20-6-8-28-13-18(20)14-30-19-2-4-24-25(11-19)32-15-31-24/h2-6,8,10,13-14,20,23,35H,7,9,11-12,15-17H2,1H3;3-7,9,11,14-15,22,25,32H,8,10,12-13,16-18H2,1-2H3;1-5,7-8,10,13-14,20,22,34H,6,9,11-12,15-17H2;2,4-5,7-10,13-14,19,21,33H,1,3,6,11-12,15-17H2;2-6,8-9,11,14-15,21,23,31H,7,10,12-13,16-18H2,1H3;1-5,7,9,12-13,18,20,32H,6,8,10-11,14-16H2;1-5,7,10-12,18,20,27-28H,6,8-9,13-15H2/t20-,23-;22-,25-;20-,22-;19-,21-;21-,23-;2*18-,20-/m0000000/s1
InChIKeyJVIPDRLDFMDROQ-RCMJBGHCSA-N
MW3499.77 g/mol
LogP38.85
Rot. Bonds57

About 1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-4-(2,6-difluorophenyl)butan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-difluorophenyl)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-methoxyphenyl)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-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-2-(1H-pyrrol-3-yl)ethanone;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-(trifluoromethyl)phenyl]propan-1-one

1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-4-(2,6-difluorophenyl)butan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-difluorophenyl)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-methoxyphenyl)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-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-2-(1H-pyrrol-3-yl)ethanone;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 159034933) has the molecular formula C200H197F17N8O29 and a molecular weight of 3499.77 g/mol. Its IUPAC name is 1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-4-(2,6-difluorophenyl)butan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-difluorophenyl)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-methoxyphenyl)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-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-2-(1H-pyrrol-3-yl)ethanone;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-4-(2,6-difluorophenyl)butan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-difluorophenyl)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-methoxyphenyl)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-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-2-(1H-pyrrol-3-yl)ethanone;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-(trifluoromethyl)phenyl]propan-1-one
PubChem CID159034933
Molecular FormulaC200H197F17N8O29
Molecular Weight3499.77 g/mol
Exact Mass3497.39
IUPAC Name1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-4-(2,6-difluorophenyl)butan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-difluorophenyl)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-methoxyphenyl)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-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-2-(1H-pyrrol-3-yl)ethanone;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-(trifluoromethyl)phenyl]propan-1-one
SMILESCOc1ccccc1CCC(=O)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.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(CCCc1c(F)cccc1F)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.O=C(CCc1c(F)cccc1F)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.O=C(CCc1ccccc1C(F)(F)F)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.O=C(Cc1cc[nH]c1)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F
InChIInChI=1S/C30H29F4NO4.C30H32FNO4.C29H27F4NO4.C29H28F3NO4.C29H30FNO5.C28H26F3NO4.C25H25FN2O4/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;1-19-4-3-5-20(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;30-25-8-5-19(13-23(25)26(35)9-6-18-3-1-2-4-24(18)29(31,32)33)22-11-12-34-15-20(22)16-36-21-7-10-27-28(14-21)38-17-37-27;30-24-4-2-5-25(31)22(24)3-1-6-27(34)23-13-18(7-9-26(23)32)21-11-12-33-15-19(21)16-35-20-8-10-28-29(14-20)37-17-36-28;1-33-27-5-3-2-4-19(27)7-10-26(32)24-14-20(6-9-25(24)30)23-12-13-31-16-21(23)17-34-22-8-11-28-29(15-22)36-18-35-28;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;26-22-3-1-17(10-21(22)23(29)9-16-5-7-27-12-16)20-6-8-28-13-18(20)14-30-19-2-4-24-25(11-19)32-15-31-24/h2-6,8,10,13-14,20,23,35H,7,9,11-12,15-17H2,1H3;3-7,9,11,14-15,22,25,32H,8,10,12-13,16-18H2,1-2H3;1-5,7-8,10,13-14,20,22,34H,6,9,11-12,15-17H2;2,4-5,7-10,13-14,19,21,33H,1,3,6,11-12,15-17H2;2-6,8-9,11,14-15,21,23,31H,7,10,12-13,16-18H2,1H3;1-5,7,9,12-13,18,20,32H,6,8,10-11,14-16H2;1-5,7,10-12,18,20,27-28H,6,8-9,13-15H2/t20-,23-;22-,25-;20-,22-;19-,21-;21-,23-;2*18-,20-/m0000000/s1
InChIKeyJVIPDRLDFMDROQ-RCMJBGHCSA-N
XLogP38.85
TPSA422.55 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds57
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003499.77
LogP ≤ 538.85
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Analyze 1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-4-(2,6-difluorophenyl)butan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-difluorophenyl)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-methoxyphenyl)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-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-2-(1H-pyrrol-3-yl)ethanone;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-(trifluoromethyl)phenyl]propan-1-one with MolForge

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Related Compounds

1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-4-(2,6-difluorophenyl)butan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-difluorophenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2-methoxyphenyl)propan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-pyridin-2-ylpropan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-4-(1H-pyrrol-3-yl)butan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-(trifluoromethyl)phenyl]propan-1-one
CID 158369431
1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-4-(2,6-difluorophenyl)butan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-difluorophenyl)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-methoxyphenyl)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-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-4-(1H-pyrrol-3-yl)butan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-(trifluoromethyl)phenyl]propan-1-one
CID 160199260
1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-2-(1H-pyrrol-3-yl)ethanone
CID 159034934
2-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-N-[2-(2,6-difluorophenyl)ethyl]acetamide;2-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-N-[(2,6-difluorophenyl)methyl]acetamide;2-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-N-[(2-methoxyphenyl)methyl]acetamide;2-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-N-(2-pyridin-2-ylethyl)acetamide;2-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-N-(pyridin-2-ylmethyl)acetamide;2-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-N-[2-(2H-pyrrol-4-yl)ethyl]acetamide
CID 159374765
2-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-N-[2-(2,6-difluorophenyl)ethyl]acetamide;2-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-N-[(2,6-difluorophenyl)methyl]acetamide;2-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-N-[(2-methoxyphenyl)methyl]acetamide;2-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-N-(2-pyridin-2-ylethyl)acetamide;2-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-N-(pyridin-2-ylmethyl)acetamide;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-pyridin-2-ylpropan-1-one;2-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-N-[2-(2H-pyrrol-4-yl)ethyl]acetamide
CID 161020648
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
CID 161447720

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-4-(2,6-difluorophenyl)butan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-difluorophenyl)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-methoxyphenyl)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-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-2-(1H-pyrrol-3-yl)ethanone;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-4-(2,6-difluorophenyl)butan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-difluorophenyl)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-methoxyphenyl)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-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-2-(1H-pyrrol-3-yl)ethanone;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-(trifluoromethyl)phenyl]propan-1-one (CID 159034933) is 1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-4-(2,6-difluorophenyl)butan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-difluorophenyl)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-methoxyphenyl)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-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-2-(1H-pyrrol-3-yl)ethanone;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-4-(2,6-difluorophenyl)butan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-difluorophenyl)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-methoxyphenyl)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-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-2-(1H-pyrrol-3-yl)ethanone;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-4-(2,6-difluorophenyl)butan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-difluorophenyl)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-methoxyphenyl)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-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-2-(1H-pyrrol-3-yl)ethanone;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-(trifluoromethyl)phenyl]propan-1-one is COc1ccccc1CCC(=O)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.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(CCCc1c(F)cccc1F)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.O=C(CCc1c(F)cccc1F)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.O=C(CCc1ccccc1C(F)(F)F)c1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.O=C(Cc1cc[nH]c1)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]-4-(2,6-difluorophenyl)butan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-difluorophenyl)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-methoxyphenyl)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-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-2-(1H-pyrrol-3-yl)ethanone;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is JVIPDRLDFMDROQ-RCMJBGHCSA-N. The full InChI is InChI=1S/C30H29F4NO4.C30H32FNO4.C29H27F4NO4.C29H28F3NO4.C29H30FNO5.C28H26F3NO4.C25H25FN2O4/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;1-19-4-3-5-20(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;30-25-8-5-19(13-23(25)26(35)9-6-18-3-1-2-4-24(18)29(31,32)33)22-11-12-34-15-20(22)16-36-21-7-10-27-28(14-21)38-17-37-27;30-24-4-2-5-25(31)22(24)3-1-6-27(34)23-13-18(7-9-26(23)32)21-11-12-33-15-19(21)16-35-20-8-10-28-29(14-20)37-17-36-28;1-33-27-5-3-2-4-19(27)7-10-26(32)24-14-20(6-9-25(24)30)23-12-13-31-16-21(23)17-34-22-8-11-28-29(15-22)36-18-35-28;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;26-22-3-1-17(10-21(22)23(29)9-16-5-7-27-12-16)20-6-8-28-13-18(20)14-30-19-2-4-24-25(11-19)32-15-31-24/h2-6,8,10,13-14,20,23,35H,7,9,11-12,15-17H2,1H3;3-7,9,11,14-15,22,25,32H,8,10,12-13,16-18H2,1-2H3;1-5,7-8,10,13-14,20,22,34H,6,9,11-12,15-17H2;2,4-5,7-10,13-14,19,21,33H,1,3,6,11-12,15-17H2;2-6,8-9,11,14-15,21,23,31H,7,10,12-13,16-18H2,1H3;1-5,7,9,12-13,18,20,32H,6,8,10-11,14-16H2;1-5,7,10-12,18,20,27-28H,6,8-9,13-15H2/t20-,23-;22-,25-;20-,22-;19-,21-;21-,23-;2*18-,20-/m0000000/s1.
What are the key properties of 1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-4-(2,6-difluorophenyl)butan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-difluorophenyl)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-methoxyphenyl)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-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-2-(1H-pyrrol-3-yl)ethanone;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-(trifluoromethyl)phenyl]propan-1-one?
1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-4-(2,6-difluorophenyl)butan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-difluorophenyl)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-methoxyphenyl)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-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-2-(1H-pyrrol-3-yl)ethanone;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 3499.77 g/mol, XLogP of 38.85, 57 rotatable bonds, 8 hydrogen bond donors, and 36 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]-4-(2,6-difluorophenyl)butan-1-one;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-(2,6-difluorophenyl)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-methoxyphenyl)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-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-2-(1H-pyrrol-3-yl)ethanone;1-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-3-[2-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 159034933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).