1-N-[(1R,2S)-1-[(2R,4S)-4-benzylpiperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-1-[(2R,4S)-4-(cyclohexylmethyl)piperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,6S)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(6R)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-piperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

C161H217F10N15O15 — CID 158355206

IUPAC1-N-[(1R,2S)-1-[(2R,4S)-4-benzylpiperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-1-[(2R,4S)-4-(cyclohexylmethyl)piperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,6S)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(6R)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-piperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)[C@H](O)C2CCC[C@@H](C)N2)c1.CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CCCCN2)c1.CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CCC[C@H](C)N2)c1.CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](CC3CCCCC3)CCN2)c1.CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](Cc3ccccc3)CCN2)c1
InChIInChI=1S/C36H51F2N3O3.C36H45F2N3O3.2C30H41F2N3O3.C29H39F2N3O3/c2*1-4-13-41(14-5-2)36(44)29-16-24(3)15-28(22-29)35(43)40-33(21-27-18-30(37)23-31(38)19-27)34(42)32-20-26(11-12-39-32)17-25-9-7-6-8-10-25;2*1-5-10-35(11-6-2)30(38)23-13-19(3)12-22(17-23)29(37)34-27(16-21-14-24(31)18-25(32)15-21)28(36)26-9-7-8-20(4)33-26;1-4-10-34(11-5-2)29(37)22-13-19(3)12-21(17-22)28(36)33-26(27(35)25-8-6-7-9-32-25)16-20-14-23(30)18-24(31)15-20/h15-16,18-19,22-23,25-26,32-34,39,42H,4-14,17,20-21H2,1-3H3,(H,40,43);6-10,15-16,18-19,22-23,26,32-34,39,42H,4-5,11-14,17,20-21H2,1-3H3,(H,40,43);2*12-15,17-18,20,26-28,33,36H,5-11,16H2,1-4H3,(H,34,37);12-15,17-18,25-27,32,35H,4-11,16H2,1-3H3,(H,33,36)/t2*26-,32-,33+,34-;20-,26?,27?,28-;20-,26+,27-,28+;25-,26+,27-/m11101/s1
InChIKeyGSUDRLRGYOWRIR-YQLFUEGCSA-N
MW2792.58 g/mol
LogP26.34
Rot. Bonds59

About 1-N-[(1R,2S)-1-[(2R,4S)-4-benzylpiperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-1-[(2R,4S)-4-(cyclohexylmethyl)piperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,6S)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(6R)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-piperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

1-N-[(1R,2S)-1-[(2R,4S)-4-benzylpiperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-1-[(2R,4S)-4-(cyclohexylmethyl)piperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,6S)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(6R)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-piperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (PubChem CID 158355206) has the molecular formula C161H217F10N15O15 and a molecular weight of 2792.58 g/mol. Its IUPAC name is 1-N-[(1R,2S)-1-[(2R,4S)-4-benzylpiperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-1-[(2R,4S)-4-(cyclohexylmethyl)piperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,6S)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(6R)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-piperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(1R,2S)-1-[(2R,4S)-4-benzylpiperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-1-[(2R,4S)-4-(cyclohexylmethyl)piperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,6S)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(6R)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-piperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
PubChem CID158355206
Molecular FormulaC161H217F10N15O15
Molecular Weight2792.58 g/mol
Exact Mass2790.65
IUPAC Name1-N-[(1R,2S)-1-[(2R,4S)-4-benzylpiperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-1-[(2R,4S)-4-(cyclohexylmethyl)piperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,6S)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(6R)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-piperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)[C@H](O)C2CCC[C@@H](C)N2)c1.CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CCCCN2)c1.CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CCC[C@H](C)N2)c1.CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](CC3CCCCC3)CCN2)c1.CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](Cc3ccccc3)CCN2)c1
InChIInChI=1S/C36H51F2N3O3.C36H45F2N3O3.2C30H41F2N3O3.C29H39F2N3O3/c2*1-4-13-41(14-5-2)36(44)29-16-24(3)15-28(22-29)35(43)40-33(21-27-18-30(37)23-31(38)19-27)34(42)32-20-26(11-12-39-32)17-25-9-7-6-8-10-25;2*1-5-10-35(11-6-2)30(38)23-13-19(3)12-22(17-23)29(37)34-27(16-21-14-24(31)18-25(32)15-21)28(36)26-9-7-8-20(4)33-26;1-4-10-34(11-5-2)29(37)22-13-19(3)12-21(17-22)28(36)33-26(27(35)25-8-6-7-9-32-25)16-20-14-23(30)18-24(31)15-20/h15-16,18-19,22-23,25-26,32-34,39,42H,4-14,17,20-21H2,1-3H3,(H,40,43);6-10,15-16,18-19,22-23,26,32-34,39,42H,4-5,11-14,17,20-21H2,1-3H3,(H,40,43);2*12-15,17-18,20,26-28,33,36H,5-11,16H2,1-4H3,(H,34,37);12-15,17-18,25-27,32,35H,4-11,16H2,1-3H3,(H,33,36)/t2*26-,32-,33+,34-;20-,26?,27?,28-;20-,26+,27-,28+;25-,26+,27-/m11101/s1
InChIKeyGSUDRLRGYOWRIR-YQLFUEGCSA-N
XLogP26.34
TPSA408.35 Ų
H-Bond Donors15
H-Bond Acceptors20
Rotatable Bonds59
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002792.58
LogP ≤ 526.34
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1020

Analyze 1-N-[(1R,2S)-1-[(2R,4S)-4-benzylpiperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-1-[(2R,4S)-4-(cyclohexylmethyl)piperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,6S)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(6R)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-piperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide with MolForge

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Related Compounds

1-N-[3-(3,5-difluorophenyl)-1-hydroxy-1-[4-[(4-hydroxyphenyl)methyl]piperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 143004861
1-N-[(1R,2S)-1-[(2R,4S)-4-benzylpiperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;(1S,2S)-1-(4-chloro-2-pyridinyl)-2-(dibenzylamino)-3-(3,5-difluorophenyl)propan-1-ol;(2S)-2-(dibenzylamino)-3-(3,5-difluorophenyl)propanal
CID 159082968
1-N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-4-phenylpiperazin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 44586541
1-N-[1-[5-(cyclohexyloxymethyl)piperidin-2-yl]-3-(3-fluoro-5-methylphenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 143004927
1-N-[(2S,3R)-5-(3-cyclopentylpropanoylamino)-1-(3,5-difluorophenyl)-3-hydroxypentan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 69420474
1-N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-4-(2-methylphenyl)sulfonylpiperazin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 46888932
1-N-[(2S,3S)-4-(benzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 10209484
1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methylcyclohexyl)amino]butan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 69419314
1-N-[(2S,3R)-4-(1,3-dicyclohexylpropylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 68607343
1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-[(2S)-4-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 59168020
1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[(1R)-1-phenylpropyl]amino]butan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 68611406
1-N-[(2S)-1-[(2R)-4-(3,4-dichlorophenyl)sulfonylpiperazin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 70920742

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1R,2S)-1-[(2R,4S)-4-benzylpiperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-1-[(2R,4S)-4-(cyclohexylmethyl)piperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,6S)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(6R)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-piperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[(1R,2S)-1-[(2R,4S)-4-benzylpiperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-1-[(2R,4S)-4-(cyclohexylmethyl)piperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,6S)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(6R)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-piperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (CID 158355206) is 1-N-[(1R,2S)-1-[(2R,4S)-4-benzylpiperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-1-[(2R,4S)-4-(cyclohexylmethyl)piperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,6S)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(6R)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-piperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(1R,2S)-1-[(2R,4S)-4-benzylpiperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-1-[(2R,4S)-4-(cyclohexylmethyl)piperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,6S)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(6R)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-piperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(1R,2S)-1-[(2R,4S)-4-benzylpiperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-1-[(2R,4S)-4-(cyclohexylmethyl)piperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,6S)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(6R)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-piperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(F)cc(F)c2)[C@H](O)C2CCC[C@@H](C)N2)c1.CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CCCCN2)c1.CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CCC[C@H](C)N2)c1.CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](CC3CCCCC3)CCN2)c1.CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@@H](Cc3ccccc3)CCN2)c1.
What is the InChIKey of 1-N-[(1R,2S)-1-[(2R,4S)-4-benzylpiperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-1-[(2R,4S)-4-(cyclohexylmethyl)piperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,6S)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(6R)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-piperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The InChIKey is GSUDRLRGYOWRIR-YQLFUEGCSA-N. The full InChI is InChI=1S/C36H51F2N3O3.C36H45F2N3O3.2C30H41F2N3O3.C29H39F2N3O3/c2*1-4-13-41(14-5-2)36(44)29-16-24(3)15-28(22-29)35(43)40-33(21-27-18-30(37)23-31(38)19-27)34(42)32-20-26(11-12-39-32)17-25-9-7-6-8-10-25;2*1-5-10-35(11-6-2)30(38)23-13-19(3)12-22(17-23)29(37)34-27(16-21-14-24(31)18-25(32)15-21)28(36)26-9-7-8-20(4)33-26;1-4-10-34(11-5-2)29(37)22-13-19(3)12-21(17-22)28(36)33-26(27(35)25-8-6-7-9-32-25)16-20-14-23(30)18-24(31)15-20/h15-16,18-19,22-23,25-26,32-34,39,42H,4-14,17,20-21H2,1-3H3,(H,40,43);6-10,15-16,18-19,22-23,26,32-34,39,42H,4-5,11-14,17,20-21H2,1-3H3,(H,40,43);2*12-15,17-18,20,26-28,33,36H,5-11,16H2,1-4H3,(H,34,37);12-15,17-18,25-27,32,35H,4-11,16H2,1-3H3,(H,33,36)/t2*26-,32-,33+,34-;20-,26?,27?,28-;20-,26+,27-,28+;25-,26+,27-/m11101/s1.
What are the key properties of 1-N-[(1R,2S)-1-[(2R,4S)-4-benzylpiperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-1-[(2R,4S)-4-(cyclohexylmethyl)piperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,6S)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(6R)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-piperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
1-N-[(1R,2S)-1-[(2R,4S)-4-benzylpiperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-1-[(2R,4S)-4-(cyclohexylmethyl)piperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,6S)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(6R)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-piperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide has a molecular weight of 2792.58 g/mol, XLogP of 26.34, 59 rotatable bonds, 15 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1R,2S)-1-[(2R,4S)-4-benzylpiperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-1-[(2R,4S)-4-(cyclohexylmethyl)piperidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,6S)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(6R)-6-methylpiperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-piperidin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 158355206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).