2-[(3R,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;2-[(3S,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;N-methyl-2-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;N-methyl-2-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide

C130H160F15N11O11 — CID 123528465

IUPAC2-[(3R,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;2-[(3S,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;N-methyl-2-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;N-methyl-2-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide
SMILESCNC(=O)C[C@@H]1CC[C@@](CO[C@H](C)c2cc(C)cc(C(F)(F)F)c2)(c2ccccc2)NC1.CNC(=O)C[C@H]1CC[C@@](CO[C@H](C)c2cc(C)cc(C(F)(F)F)c2)(c2ccccc2)NC1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](CC(=O)c3ccccn3)(C(N)=O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](N)(C(C)(C)O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@](N)(C(C)(C)O)CN2)cc(C(F)(F)F)c1
InChIInChI=1S/C30H32F3N3O3.2C25H33F3N2O2.2C25H31F3N2O2/c1-20-14-22(16-24(15-20)30(31,32)33)21(2)39-19-29(23-8-4-3-5-9-23)12-11-28(18-36-29,27(34)38)17-26(37)25-10-6-7-13-35-25;2*1-17-12-19(14-21(13-17)25(26,27)28)18(2)32-16-23(20-8-6-5-7-9-20)10-11-24(29,15-30-23)22(3,4)31;2*1-17-11-20(14-22(12-17)25(26,27)28)18(2)32-16-24(21-7-5-4-6-8-21)10-9-19(15-30-24)13-23(31)29-3/h3-10,13-16,21,36H,11-12,17-19H2,1-2H3,(H2,34,38);2*5-9,12-14,18,30-31H,10-11,15-16,29H2,1-4H3;2*4-8,11-12,14,18-19,30H,9-10,13,15-16H2,1-3H3,(H,29,31)/t21-,28+,29-;18-,23-,24+;18-,23-,24-;18-,19+,24-;18-,19-,24-/m11111/s1
InChIKeyJRHMPXUDIBWWJW-ANUVSRDQSA-N
MW2337.75 g/mol
LogP25.43
Rot. Bonds35

About 2-[(3R,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;2-[(3S,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;N-methyl-2-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;N-methyl-2-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide

2-[(3R,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;2-[(3S,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;N-methyl-2-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;N-methyl-2-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide (PubChem CID 123528465) has the molecular formula C130H160F15N11O11 and a molecular weight of 2337.75 g/mol. Its IUPAC name is 2-[(3R,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;2-[(3S,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;N-methyl-2-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;N-methyl-2-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name2-[(3R,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;2-[(3S,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;N-methyl-2-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;N-methyl-2-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide
PubChem CID123528465
Molecular FormulaC130H160F15N11O11
Molecular Weight2337.75 g/mol
Exact Mass2336.21
IUPAC Name2-[(3R,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;2-[(3S,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;N-methyl-2-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;N-methyl-2-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide
SMILESCNC(=O)C[C@@H]1CC[C@@](CO[C@H](C)c2cc(C)cc(C(F)(F)F)c2)(c2ccccc2)NC1.CNC(=O)C[C@H]1CC[C@@](CO[C@H](C)c2cc(C)cc(C(F)(F)F)c2)(c2ccccc2)NC1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](CC(=O)c3ccccn3)(C(N)=O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](N)(C(C)(C)O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@](N)(C(C)(C)O)CN2)cc(C(F)(F)F)c1
InChIInChI=1S/C30H32F3N3O3.2C25H33F3N2O2.2C25H31F3N2O2/c1-20-14-22(16-24(15-20)30(31,32)33)21(2)39-19-29(23-8-4-3-5-9-23)12-11-28(18-36-29,27(34)38)17-26(37)25-10-6-7-13-35-25;2*1-17-12-19(14-21(13-17)25(26,27)28)18(2)32-16-23(20-8-6-5-7-9-20)10-11-24(29,15-30-23)22(3,4)31;2*1-17-11-20(14-22(12-17)25(26,27)28)18(2)32-16-24(21-7-5-4-6-8-21)10-9-19(15-30-24)13-23(31)29-3/h3-10,13-16,21,36H,11-12,17-19H2,1-2H3,(H2,34,38);2*5-9,12-14,18,30-31H,10-11,15-16,29H2,1-4H3;2*4-8,11-12,14,18-19,30H,9-10,13,15-16H2,1-3H3,(H,29,31)/t21-,28+,29-;18-,23-,24+;18-,23-,24-;18-,19+,24-;18-,19-,24-/m11111/s1
InChIKeyJRHMPXUDIBWWJW-ANUVSRDQSA-N
XLogP25.43
TPSA330.05 Ų
H-Bond Donors12
H-Bond Acceptors19
Rotatable Bonds35
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002337.75
LogP ≤ 525.43
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1019

Analyze 2-[(3R,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;2-[(3S,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;N-methyl-2-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;N-methyl-2-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide with MolForge

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Related Compounds

N-[[(5S,8S)-8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-oxo-8-phenyl-1,4-diazabicyclo[3.3.1]nonan-5-yl]methyl]pyridine-2-carboxamide
CID 11650257
N-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-carbamoyl-6-phenylpiperidin-3-yl]pyridine-2-carboxamide
CID 58238862
(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide
CID 68374285
N-[[(5S,8S)-8-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-oxo-8-phenyl-1,4-diazabicyclo[3.3.1]nonan-5-yl]methyl]pyridine-2-carboxamide
CID 71096382
N-[(3S,6S)-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-carbamoyl-6-phenylpiperidin-3-yl]pyridine-2-carboxamide
CID 88916455
(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide
CID 88969424
N-[(3S)-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-carbamoyl-6-phenylpiperidin-3-yl]pyridine-2-carboxamide
CID 88969463
(3S,6S)-3-(cyclopropylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3,3-dimethyl-2-oxobutyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;(3S,6S)-3-(3-hydroxy-2-oxopropyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide;bis((3S,6S)-3-(methylsulfonylmethyl)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide);(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide
CID 158057419
Tert-butylcyclohexane;tert-butylcyclopentane;2-tert-butyl-4-(difluoromethyl)pyridine;2-tert-butyl-4-ethylpyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butylpyridine-4-carboxamide;1-(6-tert-butyl-2-pyridinyl)ethanol;1-(2-tert-butyl-3-pyridinyl)ethanone;1-(6-tert-butyl-2-pyridinyl)ethanone;(6-tert-butyl-2-pyridinyl)methanamine;(2-tert-butyl-4-pyridinyl)methanol;(6-tert-butyl-2-pyridinyl)methanol;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;methyl 2-tert-butylpyridine-4-carboxylate
CID 158549359
1-(4-acetylphenyl)-3-methylbutan-2-one;1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;benzyl 2-methylpropanoate;N-tert-butyl-2-methylpropanamide;1-[4-(1,1-difluoroethyl)-4-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one;3,3-dimethyl-1-(4-methylphenyl)butan-2-one;2,2-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;2,2-dimethyl-N-pyridin-4-ylpropanamide;N-ethyl-2-methylpropanamide;methyl 2-methylpropanoate;3-methyl-1-(oxan-4-yl)butan-2-one;2-methyl-1-(oxan-4-yl)propan-1-one;bis(2-methylpentan-3-one);bis(3-methyl-1-phenylbutan-2-one);2-methyl-1-phenylpropan-1-one;4-(2-methylpropanoyl)cyclohexane-1-carboxylic acid;2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;3-methyl-1-pyridin-4-ylbutan-2-one
CID 159130306
N-[3-[(4aR,6R)-6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl]-4-methylphenyl]-2-(2-isocyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[(4aS,6S)-6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl]-4-methylphenyl]-2-(2-isocyanopropan-2-yl)pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(5-propanoyl-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)phenyl]pyridine-4-carboxamide;N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]-2-(2-isocyanopropan-2-yl)pyridine-4-carboxamide;N-[4-methyl-3-[6-(propanoylamino)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-(6-methyl-5-spiro[2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a][1,5]naphthyridine-5,3'-oxetane]-9-yl-3-pyridinyl)-3-(trifluoromethyl)benzamide
CID 159405697
N-(1-amino-1-oxopropan-2-yl)-6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-hydroxymethyl]piperidine-3-carboxamide;2,8-bis(trifluoromethyl)quinoline-4-carbaldehyde;6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-hydroxymethyl]piperidine-3-carboxamide;6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-hydroxymethyl]pyridine-3-carboxamide;6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-hydroxymethyl]pyridine-3-carboxylic acid;methyl 2-[[6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-hydroxymethyl]piperidine-3-carbonyl]amino]propanoate;methyl 2-[[6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-hydroxymethyl]pyridine-3-carbonyl]amino]propanoate
CID 160090209

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;2-[(3S,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;N-methyl-2-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;N-methyl-2-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide?
The IUPAC name of 2-[(3R,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;2-[(3S,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;N-methyl-2-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;N-methyl-2-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide (CID 123528465) is 2-[(3R,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;2-[(3S,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;N-methyl-2-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;N-methyl-2-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 2-[(3R,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;2-[(3S,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;N-methyl-2-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;N-methyl-2-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide?
The canonical SMILES for 2-[(3R,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;2-[(3S,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;N-methyl-2-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;N-methyl-2-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide is CNC(=O)C[C@@H]1CC[C@@](CO[C@H](C)c2cc(C)cc(C(F)(F)F)c2)(c2ccccc2)NC1.CNC(=O)C[C@H]1CC[C@@](CO[C@H](C)c2cc(C)cc(C(F)(F)F)c2)(c2ccccc2)NC1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](CC(=O)c3ccccn3)(C(N)=O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@@](N)(C(C)(C)O)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@](N)(C(C)(C)O)CN2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[(3R,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;2-[(3S,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;N-methyl-2-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;N-methyl-2-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide?
The InChIKey is JRHMPXUDIBWWJW-ANUVSRDQSA-N. The full InChI is InChI=1S/C30H32F3N3O3.2C25H33F3N2O2.2C25H31F3N2O2/c1-20-14-22(16-24(15-20)30(31,32)33)21(2)39-19-29(23-8-4-3-5-9-23)12-11-28(18-36-29,27(34)38)17-26(37)25-10-6-7-13-35-25;2*1-17-12-19(14-21(13-17)25(26,27)28)18(2)32-16-23(20-8-6-5-7-9-20)10-11-24(29,15-30-23)22(3,4)31;2*1-17-11-20(14-22(12-17)25(26,27)28)18(2)32-16-24(21-7-5-4-6-8-21)10-9-19(15-30-24)13-23(31)29-3/h3-10,13-16,21,36H,11-12,17-19H2,1-2H3,(H2,34,38);2*5-9,12-14,18,30-31H,10-11,15-16,29H2,1-4H3;2*4-8,11-12,14,18-19,30H,9-10,13,15-16H2,1-3H3,(H,29,31)/t21-,28+,29-;18-,23-,24+;18-,23-,24-;18-,19+,24-;18-,19-,24-/m11111/s1.
What are the key properties of 2-[(3R,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;2-[(3S,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;N-methyl-2-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;N-methyl-2-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide?
2-[(3R,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;2-[(3S,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;N-methyl-2-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;N-methyl-2-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide has a molecular weight of 2337.75 g/mol, XLogP of 25.43, 35 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;2-[(3S,6S)-3-amino-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]propan-2-ol;N-methyl-2-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;N-methyl-2-[(3R,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]acetamide;(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxo-2-pyridin-2-ylethyl)-6-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 123528465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).