(5R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]oxane-2-carboxamide;(2S,5R)-2-cyclopropyl-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;5-[4-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperazin-1-yl]-2-fluorobenzoic acid;3-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-4-methylbenzoic acid;5-[(3R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-3-yl]oxy-2-fluorobenzoic acid

C139H149F26N11O17 — CID 159410573

IUPAC(5R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]oxane-2-carboxamide;(2S,5R)-2-cyclopropyl-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;5-[4-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperazin-1-yl]-2-fluorobenzoic acid;3-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-4-methylbenzoic acid;5-[(3R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-3-yl]oxy-2-fluorobenzoic acid
SMILESCc1ccc(C(=O)O)cc1C1CCN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)OC2)CC1.O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)CO1.O=C(NCc1cc(F)cc(C(F)(F)F)c1)[C@@]1(C2CC2)CC[C@@H](N2CC(c3ccc(F)cc3)C2)CO1.O=C(O)c1cc(N2CCN([C@@H]3CC[C@@](C(=O)NCc4cc(F)cc(C(F)(F)F)c4)(C4CC4)OC3)CC2)ccc1F.O=C(O)c1cc(O[C@@H]2CCCN([C@@H]3CC[C@@](C(=O)NCc4cc(F)cc(C(F)(F)F)c4)(C4CC4)OC3)C2)ccc1F
InChIInChI=1S/C30H34F4N2O4.C29H31F5N2O5.C28H30F5N3O4.C26H27F7N2O2.C26H27F5N2O2/c1-18-2-3-21(27(37)38)14-26(18)20-7-10-36(11-8-20)25-6-9-29(40-17-25,22-4-5-22)28(39)35-16-19-12-23(30(32,33)34)15-24(31)13-19;30-20-11-17(10-19(12-20)29(32,33)34)14-35-27(39)28(18-3-4-18)8-7-21(16-40-28)36-9-1-2-23(15-36)41-22-5-6-25(31)24(13-22)26(37)38;29-20-12-17(11-19(13-20)28(31,32)33)15-34-26(39)27(18-1-2-18)6-5-22(16-40-27)36-9-7-35(8-10-36)21-3-4-24(30)23(14-21)25(37)38;27-21-3-1-17(2-4-21)18-7-9-35(10-8-18)22-5-6-23(37-15-22)24(36)34-14-16-11-19(25(28,29)30)13-20(12-16)26(31,32)33;27-21-5-1-17(2-6-21)18-13-33(14-18)23-7-8-25(35-15-23,19-3-4-19)24(34)32-12-16-9-20(26(29,30)31)11-22(28)10-16/h2-3,12-15,20,22,25H,4-11,16-17H2,1H3,(H,35,39)(H,37,38);5-6,10-13,18,21,23H,1-4,7-9,14-16H2,(H,35,39)(H,37,38);3-4,11-14,18,22H,1-2,5-10,15-16H2,(H,34,39)(H,37,38);1-4,11-13,18,22-23H,5-10,14-15H2,(H,34,36);1-2,5-6,9-11,18-19,23H,3-4,7-8,12-15H2,(H,32,34)/t25-,29+;21-,23-,28+;22-,27+;22-,23?;23-,25+/m11111/s1
InChIKeyLONISNWEWAMBAD-HQBFNAPJSA-N
MW2739.73 g/mol
LogP26.23
Rot. Bonds33

About (5R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]oxane-2-carboxamide;(2S,5R)-2-cyclopropyl-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;5-[4-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperazin-1-yl]-2-fluorobenzoic acid;3-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-4-methylbenzoic acid;5-[(3R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-3-yl]oxy-2-fluorobenzoic acid

(5R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]oxane-2-carboxamide;(2S,5R)-2-cyclopropyl-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;5-[4-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperazin-1-yl]-2-fluorobenzoic acid;3-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-4-methylbenzoic acid;5-[(3R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-3-yl]oxy-2-fluorobenzoic acid (PubChem CID 159410573) has the molecular formula C139H149F26N11O17 and a molecular weight of 2739.73 g/mol. Its IUPAC name is (5R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]oxane-2-carboxamide;(2S,5R)-2-cyclopropyl-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;5-[4-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperazin-1-yl]-2-fluorobenzoic acid;3-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-4-methylbenzoic acid;5-[(3R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-3-yl]oxy-2-fluorobenzoic acid.

Molecular Properties

Compound Name(5R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]oxane-2-carboxamide;(2S,5R)-2-cyclopropyl-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;5-[4-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperazin-1-yl]-2-fluorobenzoic acid;3-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-4-methylbenzoic acid;5-[(3R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-3-yl]oxy-2-fluorobenzoic acid
PubChem CID159410573
Molecular FormulaC139H149F26N11O17
Molecular Weight2739.73 g/mol
Exact Mass2738.07
IUPAC Name(5R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]oxane-2-carboxamide;(2S,5R)-2-cyclopropyl-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;5-[4-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperazin-1-yl]-2-fluorobenzoic acid;3-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-4-methylbenzoic acid;5-[(3R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-3-yl]oxy-2-fluorobenzoic acid
SMILESCc1ccc(C(=O)O)cc1C1CCN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)OC2)CC1.O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)CO1.O=C(NCc1cc(F)cc(C(F)(F)F)c1)[C@@]1(C2CC2)CC[C@@H](N2CC(c3ccc(F)cc3)C2)CO1.O=C(O)c1cc(N2CCN([C@@H]3CC[C@@](C(=O)NCc4cc(F)cc(C(F)(F)F)c4)(C4CC4)OC3)CC2)ccc1F.O=C(O)c1cc(O[C@@H]2CCCN([C@@H]3CC[C@@](C(=O)NCc4cc(F)cc(C(F)(F)F)c4)(C4CC4)OC3)C2)ccc1F
InChIInChI=1S/C30H34F4N2O4.C29H31F5N2O5.C28H30F5N3O4.C26H27F7N2O2.C26H27F5N2O2/c1-18-2-3-21(27(37)38)14-26(18)20-7-10-36(11-8-20)25-6-9-29(40-17-25,22-4-5-22)28(39)35-16-19-12-23(30(32,33)34)15-24(31)13-19;30-20-11-17(10-19(12-20)29(32,33)34)14-35-27(39)28(18-3-4-18)8-7-21(16-40-28)36-9-1-2-23(15-36)41-22-5-6-25(31)24(13-22)26(37)38;29-20-12-17(11-19(13-20)28(31,32)33)15-34-26(39)27(18-1-2-18)6-5-22(16-40-27)36-9-7-35(8-10-36)21-3-4-24(30)23(14-21)25(37)38;27-21-3-1-17(2-4-21)18-7-9-35(10-8-18)22-5-6-23(37-15-22)24(36)34-14-16-11-19(25(28,29)30)13-20(12-16)26(31,32)33;27-21-5-1-17(2-6-21)18-13-33(14-18)23-7-8-25(35-15-23,19-3-4-19)24(34)32-12-16-9-20(26(29,30)31)11-22(28)10-16/h2-3,12-15,20,22,25H,4-11,16-17H2,1H3,(H,35,39)(H,37,38);5-6,10-13,18,21,23H,1-4,7-9,14-16H2,(H,35,39)(H,37,38);3-4,11-14,18,22H,1-2,5-10,15-16H2,(H,34,39)(H,37,38);1-4,11-13,18,22-23H,5-10,14-15H2,(H,34,36);1-2,5-6,9-11,18-19,23H,3-4,7-8,12-15H2,(H,32,34)/t25-,29+;21-,23-,28+;22-,27+;22-,23?;23-,25+/m11111/s1
InChIKeyLONISNWEWAMBAD-HQBFNAPJSA-N
XLogP26.23
TPSA332.22 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds33
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002739.73
LogP ≤ 526.23
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze (5R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]oxane-2-carboxamide;(2S,5R)-2-cyclopropyl-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;5-[4-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperazin-1-yl]-2-fluorobenzoic acid;3-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-4-methylbenzoic acid;5-[(3R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-3-yl]oxy-2-fluorobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]oxane-2-carboxamide;(2S,5R)-2-cyclopropyl-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;5-[4-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperazin-1-yl]-2-fluorobenzoic acid;3-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-4-methylbenzoic acid;5-[(3R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-3-yl]oxy-2-fluorobenzoic acid?
The IUPAC name of (5R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]oxane-2-carboxamide;(2S,5R)-2-cyclopropyl-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;5-[4-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperazin-1-yl]-2-fluorobenzoic acid;3-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-4-methylbenzoic acid;5-[(3R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-3-yl]oxy-2-fluorobenzoic acid (CID 159410573) is (5R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]oxane-2-carboxamide;(2S,5R)-2-cyclopropyl-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;5-[4-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperazin-1-yl]-2-fluorobenzoic acid;3-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-4-methylbenzoic acid;5-[(3R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-3-yl]oxy-2-fluorobenzoic acid.
What is the SMILES notation for (5R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]oxane-2-carboxamide;(2S,5R)-2-cyclopropyl-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;5-[4-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperazin-1-yl]-2-fluorobenzoic acid;3-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-4-methylbenzoic acid;5-[(3R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-3-yl]oxy-2-fluorobenzoic acid?
The canonical SMILES for (5R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]oxane-2-carboxamide;(2S,5R)-2-cyclopropyl-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;5-[4-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperazin-1-yl]-2-fluorobenzoic acid;3-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-4-methylbenzoic acid;5-[(3R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-3-yl]oxy-2-fluorobenzoic acid is Cc1ccc(C(=O)O)cc1C1CCN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)OC2)CC1.O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)CO1.O=C(NCc1cc(F)cc(C(F)(F)F)c1)[C@@]1(C2CC2)CC[C@@H](N2CC(c3ccc(F)cc3)C2)CO1.O=C(O)c1cc(N2CCN([C@@H]3CC[C@@](C(=O)NCc4cc(F)cc(C(F)(F)F)c4)(C4CC4)OC3)CC2)ccc1F.O=C(O)c1cc(O[C@@H]2CCCN([C@@H]3CC[C@@](C(=O)NCc4cc(F)cc(C(F)(F)F)c4)(C4CC4)OC3)C2)ccc1F.
What is the InChIKey of (5R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]oxane-2-carboxamide;(2S,5R)-2-cyclopropyl-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;5-[4-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperazin-1-yl]-2-fluorobenzoic acid;3-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-4-methylbenzoic acid;5-[(3R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-3-yl]oxy-2-fluorobenzoic acid?
The InChIKey is LONISNWEWAMBAD-HQBFNAPJSA-N. The full InChI is InChI=1S/C30H34F4N2O4.C29H31F5N2O5.C28H30F5N3O4.C26H27F7N2O2.C26H27F5N2O2/c1-18-2-3-21(27(37)38)14-26(18)20-7-10-36(11-8-20)25-6-9-29(40-17-25,22-4-5-22)28(39)35-16-19-12-23(30(32,33)34)15-24(31)13-19;30-20-11-17(10-19(12-20)29(32,33)34)14-35-27(39)28(18-3-4-18)8-7-21(16-40-28)36-9-1-2-23(15-36)41-22-5-6-25(31)24(13-22)26(37)38;29-20-12-17(11-19(13-20)28(31,32)33)15-34-26(39)27(18-1-2-18)6-5-22(16-40-27)36-9-7-35(8-10-36)21-3-4-24(30)23(14-21)25(37)38;27-21-3-1-17(2-4-21)18-7-9-35(10-8-18)22-5-6-23(37-15-22)24(36)34-14-16-11-19(25(28,29)30)13-20(12-16)26(31,32)33;27-21-5-1-17(2-6-21)18-13-33(14-18)23-7-8-25(35-15-23,19-3-4-19)24(34)32-12-16-9-20(26(29,30)31)11-22(28)10-16/h2-3,12-15,20,22,25H,4-11,16-17H2,1H3,(H,35,39)(H,37,38);5-6,10-13,18,21,23H,1-4,7-9,14-16H2,(H,35,39)(H,37,38);3-4,11-14,18,22H,1-2,5-10,15-16H2,(H,34,39)(H,37,38);1-4,11-13,18,22-23H,5-10,14-15H2,(H,34,36);1-2,5-6,9-11,18-19,23H,3-4,7-8,12-15H2,(H,32,34)/t25-,29+;21-,23-,28+;22-,27+;22-,23?;23-,25+/m11111/s1.
What are the key properties of (5R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]oxane-2-carboxamide;(2S,5R)-2-cyclopropyl-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;5-[4-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperazin-1-yl]-2-fluorobenzoic acid;3-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-4-methylbenzoic acid;5-[(3R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-3-yl]oxy-2-fluorobenzoic acid?
(5R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]oxane-2-carboxamide;(2S,5R)-2-cyclopropyl-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;5-[4-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperazin-1-yl]-2-fluorobenzoic acid;3-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-4-methylbenzoic acid;5-[(3R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-3-yl]oxy-2-fluorobenzoic acid has a molecular weight of 2739.73 g/mol, XLogP of 26.23, 33 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-[4-(4-fluorophenyl)piperidin-1-yl]oxane-2-carboxamide;(2S,5R)-2-cyclopropyl-5-[3-(4-fluorophenyl)azetidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]oxane-2-carboxamide;5-[4-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperazin-1-yl]-2-fluorobenzoic acid;3-[1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-4-yl]-4-methylbenzoic acid;5-[(3R)-1-[(3R,6S)-6-cyclopropyl-6-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]oxan-3-yl]piperidin-3-yl]oxy-2-fluorobenzoic acid is sourced from PubChem (CID 159410573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).