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

C168H175F10N15O25 — CID 159374765

IUPAC2-[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
SMILESCOc1ccccc1CNC(=O)Cc1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.O=C(Cc1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F)NCCC1=CCN=C1.O=C(Cc1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F)NCCc1c(F)cccc1F.O=C(Cc1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F)NCCc1ccccn1.O=C(Cc1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F)NCc1c(F)cccc1F.O=C(Cc1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F)NCc1ccccn1
InChIInChI=1S/C29H29F3N2O4.C29H31FN2O5.C28H27F3N2O4.C28H30FN3O4.C27H30FN3O4.C27H28FN3O4/c30-24-6-4-18(12-19(24)13-29(35)34-11-9-23-25(31)2-1-3-26(23)32)22-8-10-33-15-20(22)16-36-21-5-7-27-28(14-21)38-17-37-27;1-34-26-5-3-2-4-20(26)16-32-29(33)13-21-12-19(6-8-25(21)30)24-10-11-31-15-22(24)17-35-23-7-9-27-28(14-23)37-18-36-27;29-23-6-4-17(10-18(23)11-28(34)33-14-22-24(30)2-1-3-25(22)31)21-8-9-32-13-19(21)15-35-20-5-7-26-27(12-20)37-16-36-26;29-25-6-4-19(13-20(25)14-28(33)32-12-8-22-3-1-2-10-31-22)24-9-11-30-16-21(24)17-34-23-5-7-26-27(15-23)36-18-35-26;28-24-3-1-19(11-20(24)12-27(32)31-10-6-18-5-8-29-14-18)23-7-9-30-15-21(23)16-33-22-2-4-25-26(13-22)35-17-34-25;28-24-6-4-18(11-19(24)12-27(32)31-15-21-3-1-2-9-30-21)23-8-10-29-14-20(23)16-33-22-5-7-25-26(13-22)35-17-34-25/h1-7,12,14,20,22,33H,8-11,13,15-17H2,(H,34,35);2-9,12,14,22,24,31H,10-11,13,15-18H2,1H3,(H,32,33);1-7,10,12,19,21,32H,8-9,11,13-16H2,(H,33,34);1-7,10,13,15,21,24,30H,8-9,11-12,14,16-18H2,(H,32,33);1-5,11,13-14,21,23,30H,6-10,12,15-17H2,(H,31,32);1-7,9,11,13,20,23,29H,8,10,12,14-17H2,(H,31,32)/t20-,22-;22-,24-;19-,21-;21-,24-;21-,23-;20-,23-/m000000/s1
InChIKeyLKEBXEKBJZZWPP-FFBMOMJFSA-N
MW2994.31 g/mol
LogP23.75
Rot. Bonds52

About 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

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 (PubChem CID 159374765) has the molecular formula C168H175F10N15O25 and a molecular weight of 2994.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID159374765
Molecular FormulaC168H175F10N15O25
Molecular Weight2994.31 g/mol
Exact Mass2992.27
IUPAC Name2-[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
SMILESCOc1ccccc1CNC(=O)Cc1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.O=C(Cc1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F)NCCC1=CCN=C1.O=C(Cc1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F)NCCc1c(F)cccc1F.O=C(Cc1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F)NCCc1ccccn1.O=C(Cc1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F)NCc1c(F)cccc1F.O=C(Cc1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F)NCc1ccccn1
InChIInChI=1S/C29H29F3N2O4.C29H31FN2O5.C28H27F3N2O4.C28H30FN3O4.C27H30FN3O4.C27H28FN3O4/c30-24-6-4-18(12-19(24)13-29(35)34-11-9-23-25(31)2-1-3-26(23)32)22-8-10-33-15-20(22)16-36-21-5-7-27-28(14-21)38-17-37-27;1-34-26-5-3-2-4-20(26)16-32-29(33)13-21-12-19(6-8-25(21)30)24-10-11-31-15-22(24)17-35-23-7-9-27-28(14-23)37-18-36-27;29-23-6-4-17(10-18(23)11-28(34)33-14-22-24(30)2-1-3-25(22)31)21-8-9-32-13-19(21)15-35-20-5-7-26-27(12-20)37-16-36-26;29-25-6-4-19(13-20(25)14-28(33)32-12-8-22-3-1-2-10-31-22)24-9-11-30-16-21(24)17-34-23-5-7-26-27(15-23)36-18-35-26;28-24-3-1-19(11-20(24)12-27(32)31-10-6-18-5-8-29-14-18)23-7-9-30-15-21(23)16-33-22-2-4-25-26(13-22)35-17-34-25;28-24-6-4-18(11-19(24)12-27(32)31-15-21-3-1-2-9-30-21)23-8-10-29-14-20(23)16-33-22-5-7-25-26(13-22)35-17-34-25/h1-7,12,14,20,22,33H,8-11,13,15-17H2,(H,34,35);2-9,12,14,22,24,31H,10-11,13,15-18H2,1H3,(H,32,33);1-7,10,12,19,21,32H,8-9,11,13-16H2,(H,33,34);1-7,10,13,15,21,24,30H,8-9,11-12,14,16-18H2,(H,32,33);1-5,11,13-14,21,23,30H,6-10,12,15-17H2,(H,31,32);1-7,9,11,13,20,23,29H,8,10,12,14-17H2,(H,31,32)/t20-,22-;22-,24-;19-,21-;21-,24-;21-,23-;20-,23-/m000000/s1
InChIKeyLKEBXEKBJZZWPP-FFBMOMJFSA-N
XLogP23.75
TPSA460.29 Ų
H-Bond Donors12
H-Bond Acceptors34
Rotatable Bonds52
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002994.31
LogP ≤ 523.75
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1034

Analyze 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 with MolForge

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Related Compounds

5-[(3s,4r)-3-{[(2h-1,3-Benzodioxol-5-Yl)oxy]methyl}piperidin-4-Yl]-2-Fluoro-N-[(Pyridin-2-Yl)methyl]benzamide
CID 124160646
2-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-N-(2-pyridin-2-ylethyl)acetamide
CID 135184938
2-[5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluorophenyl]-N-(pyridin-2-ylmethyl)acetamide
CID 135184970
Tert-butyl 3-(1,3-benzodioxol-5-yloxymethyl)-4-[4-fluoro-3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]phenyl]piperidine-1-carboxylate
CID 135184907
tert-butyl (3R,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-[4-fluoro-3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]phenyl]piperidine-1-carboxylate
CID 135184909
tert-butyl (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-[4-fluoro-3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]phenyl]piperidine-1-carboxylate
CID 135184910
Tert-butyl 3-(1,3-benzodioxol-5-yloxymethyl)-4-[4-fluoro-3-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]piperidine-1-carboxylate
CID 135184992
tert-butyl (3R,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-[4-fluoro-3-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]piperidine-1-carboxylate
CID 135184993
tert-butyl (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-[4-fluoro-3-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]piperidine-1-carboxylate
CID 135184995
2-[5-[(3S,4R)-3-[2-(1,3-benzodioxol-5-yloxy)ethyl]piperidin-4-yl]-2-fluorophenyl]-N-(pyridin-2-ylmethyl)acetamide
CID 138741509
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]-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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccccc1CNC(=O)Cc1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F.O=C(Cc1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F)NCCC1=CCN=C1.O=C(Cc1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F)NCCc1c(F)cccc1F.O=C(Cc1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F)NCCc1ccccn1.O=C(Cc1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F)NCc1c(F)cccc1F.O=C(Cc1cc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)ccc1F)NCc1ccccn1.
What is the InChIKey of 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?
The InChIKey is LKEBXEKBJZZWPP-FFBMOMJFSA-N. The full InChI is InChI=1S/C29H29F3N2O4.C29H31FN2O5.C28H27F3N2O4.C28H30FN3O4.C27H30FN3O4.C27H28FN3O4/c30-24-6-4-18(12-19(24)13-29(35)34-11-9-23-25(31)2-1-3-26(23)32)22-8-10-33-15-20(22)16-36-21-5-7-27-28(14-21)38-17-37-27;1-34-26-5-3-2-4-20(26)16-32-29(33)13-21-12-19(6-8-25(21)30)24-10-11-31-15-22(24)17-35-23-7-9-27-28(14-23)37-18-36-27;29-23-6-4-17(10-18(23)11-28(34)33-14-22-24(30)2-1-3-25(22)31)21-8-9-32-13-19(21)15-35-20-5-7-26-27(12-20)37-16-36-26;29-25-6-4-19(13-20(25)14-28(33)32-12-8-22-3-1-2-10-31-22)24-9-11-30-16-21(24)17-34-23-5-7-26-27(15-23)36-18-35-26;28-24-3-1-19(11-20(24)12-27(32)31-10-6-18-5-8-29-14-18)23-7-9-30-15-21(23)16-33-22-2-4-25-26(13-22)35-17-34-25;28-24-6-4-18(11-19(24)12-27(32)31-15-21-3-1-2-9-30-21)23-8-10-29-14-20(23)16-33-22-5-7-25-26(13-22)35-17-34-25/h1-7,12,14,20,22,33H,8-11,13,15-17H2,(H,34,35);2-9,12,14,22,24,31H,10-11,13,15-18H2,1H3,(H,32,33);1-7,10,12,19,21,32H,8-9,11,13-16H2,(H,33,34);1-7,10,13,15,21,24,30H,8-9,11-12,14,16-18H2,(H,32,33);1-5,11,13-14,21,23,30H,6-10,12,15-17H2,(H,31,32);1-7,9,11,13,20,23,29H,8,10,12,14-17H2,(H,31,32)/t20-,22-;22-,24-;19-,21-;21-,24-;21-,23-;20-,23-/m000000/s1.
What are the key properties of 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?
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 has a molecular weight of 2994.31 g/mol, XLogP of 23.75, 52 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159374765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).