methane;methyl (2S)-2-[[2-[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-(3,3-diphenylpropanoyl)piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-isocyanophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;bis(methyl (2S)-2-[[2-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate);methyl (2S)-3-(4-phenylmethoxyphenyl)-2-[[2-[1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidin-4-yl]acetyl]amino]propanoate

C310H354Cl3F2N19O48 — CID 160628441

IUPACmethane;methyl (2S)-2-[[2-[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-(3,3-diphenylpropanoyl)piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-isocyanophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;bis(methyl (2S)-2-[[2-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate);methyl (2S)-3-(4-phenylmethoxyphenyl)-2-[[2-[1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidin-4-yl]acetyl]amino]propanoate
SMILESC.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2cc(OC)c(OC)c(OC)c2)CC1.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2ccc(C)cc2)CC1.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2ccc(C)cc2)CC1.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2ccc(F)cc2)CC1.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2cccc(Cl)c2)CC1.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2cccc(F)c2)CC1.[C-]#[N+]c1ccc(CCC(=O)N2CCC(CC(=O)N[C@@H](Cc3ccc(OCc4ccccc4)cc3)C(=O)OC)CC2)cc1
InChIInChI=1S/C39H42N2O5.C36H44N2O8.C34H37N3O5.2C34H40N2O5.C33H36Cl2N2O5.C33H37ClN2O5.2C33H37FN2O5.CH4/c1-45-39(44)36(25-29-17-19-34(20-18-29)46-28-31-11-5-2-6-12-31)40-37(42)26-30-21-23-41(24-22-30)38(43)27-35(32-13-7-3-8-14-32)33-15-9-4-10-16-33;1-42-31-21-28(22-32(43-2)35(31)44-3)12-15-34(40)38-18-16-26(17-19-38)23-33(39)37-30(36(41)45-4)20-25-10-13-29(14-11-25)46-24-27-8-6-5-7-9-27;1-35-29-13-8-25(9-14-29)12-17-33(39)37-20-18-27(19-21-37)23-32(38)36-31(34(40)41-2)22-26-10-15-30(16-11-26)42-24-28-6-4-3-5-7-28;2*1-25-8-10-26(11-9-25)14-17-33(38)36-20-18-28(19-21-36)23-32(37)35-31(34(39)40-2)22-27-12-15-30(16-13-27)41-24-29-6-4-3-5-7-29;1-41-33(40)30(20-24-7-11-27(12-8-24)42-22-26-5-3-2-4-6-26)36-31(38)21-25-15-17-37(18-16-25)32(39)14-10-23-9-13-28(34)29(35)19-23;2*1-40-33(39)30(21-25-10-13-29(14-11-25)41-23-27-6-3-2-4-7-27)35-31(37)22-26-16-18-36(19-17-26)32(38)15-12-24-8-5-9-28(34)20-24;1-40-33(39)30(21-25-9-14-29(15-10-25)41-23-27-5-3-2-4-6-27)35-31(37)22-26-17-19-36(20-18-26)32(38)16-11-24-7-12-28(34)13-8-24;/h2-20,30,35-36H,21-28H2,1H3,(H,40,42);5-11,13-14,21-22,26,30H,12,15-20,23-24H2,1-4H3,(H,37,39);3-11,13-16,27,31H,12,17-24H2,2H3,(H,36,38);2*3-13,15-16,28,31H,14,17-24H2,1-2H3,(H,35,37);2-9,11-13,19,25,30H,10,14-18,20-22H2,1H3,(H,36,38);2*2-11,13-14,20,26,30H,12,15-19,21-23H2,1H3,(H,35,37);2-10,12-15,26,30H,11,16-23H2,1H3,(H,35,37);1H4/t36-;30-;3*31-;4*30-;/m000000000./s1
InChIKeyRHPMPCSYAPXKIF-SOJHDXDZSA-N
MW5258.68 g/mol
LogP48.20
Rot. Bonds112

About methane;methyl (2S)-2-[[2-[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-(3,3-diphenylpropanoyl)piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-isocyanophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;bis(methyl (2S)-2-[[2-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate);methyl (2S)-3-(4-phenylmethoxyphenyl)-2-[[2-[1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidin-4-yl]acetyl]amino]propanoate

methane;methyl (2S)-2-[[2-[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-(3,3-diphenylpropanoyl)piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-isocyanophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;bis(methyl (2S)-2-[[2-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate);methyl (2S)-3-(4-phenylmethoxyphenyl)-2-[[2-[1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidin-4-yl]acetyl]amino]propanoate (PubChem CID 160628441) has the molecular formula C310H354Cl3F2N19O48 and a molecular weight of 5258.68 g/mol. Its IUPAC name is methane;methyl (2S)-2-[[2-[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-(3,3-diphenylpropanoyl)piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-isocyanophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;bis(methyl (2S)-2-[[2-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate);methyl (2S)-3-(4-phenylmethoxyphenyl)-2-[[2-[1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidin-4-yl]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethane;methyl (2S)-2-[[2-[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-(3,3-diphenylpropanoyl)piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-isocyanophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;bis(methyl (2S)-2-[[2-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate);methyl (2S)-3-(4-phenylmethoxyphenyl)-2-[[2-[1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidin-4-yl]acetyl]amino]propanoate
PubChem CID160628441
Molecular FormulaC310H354Cl3F2N19O48
Molecular Weight5258.68 g/mol
Exact Mass5253.49
IUPAC Namemethane;methyl (2S)-2-[[2-[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-(3,3-diphenylpropanoyl)piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-isocyanophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;bis(methyl (2S)-2-[[2-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate);methyl (2S)-3-(4-phenylmethoxyphenyl)-2-[[2-[1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidin-4-yl]acetyl]amino]propanoate
SMILESC.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2cc(OC)c(OC)c(OC)c2)CC1.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2ccc(C)cc2)CC1.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2ccc(C)cc2)CC1.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2ccc(F)cc2)CC1.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2cccc(Cl)c2)CC1.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2cccc(F)c2)CC1.[C-]#[N+]c1ccc(CCC(=O)N2CCC(CC(=O)N[C@@H](Cc3ccc(OCc4ccccc4)cc3)C(=O)OC)CC2)cc1
InChIInChI=1S/C39H42N2O5.C36H44N2O8.C34H37N3O5.2C34H40N2O5.C33H36Cl2N2O5.C33H37ClN2O5.2C33H37FN2O5.CH4/c1-45-39(44)36(25-29-17-19-34(20-18-29)46-28-31-11-5-2-6-12-31)40-37(42)26-30-21-23-41(24-22-30)38(43)27-35(32-13-7-3-8-14-32)33-15-9-4-10-16-33;1-42-31-21-28(22-32(43-2)35(31)44-3)12-15-34(40)38-18-16-26(17-19-38)23-33(39)37-30(36(41)45-4)20-25-10-13-29(14-11-25)46-24-27-8-6-5-7-9-27;1-35-29-13-8-25(9-14-29)12-17-33(39)37-20-18-27(19-21-37)23-32(38)36-31(34(40)41-2)22-26-10-15-30(16-11-26)42-24-28-6-4-3-5-7-28;2*1-25-8-10-26(11-9-25)14-17-33(38)36-20-18-28(19-21-36)23-32(37)35-31(34(39)40-2)22-27-12-15-30(16-13-27)41-24-29-6-4-3-5-7-29;1-41-33(40)30(20-24-7-11-27(12-8-24)42-22-26-5-3-2-4-6-26)36-31(38)21-25-15-17-37(18-16-25)32(39)14-10-23-9-13-28(34)29(35)19-23;2*1-40-33(39)30(21-25-10-13-29(14-11-25)41-23-27-6-3-2-4-7-27)35-31(37)22-26-16-18-36(19-17-26)32(38)15-12-24-8-5-9-28(34)20-24;1-40-33(39)30(21-25-9-14-29(15-10-25)41-23-27-5-3-2-4-6-27)35-31(37)22-26-17-19-36(20-18-26)32(38)16-11-24-7-12-28(34)13-8-24;/h2-20,30,35-36H,21-28H2,1H3,(H,40,42);5-11,13-14,21-22,26,30H,12,15-20,23-24H2,1-4H3,(H,37,39);3-11,13-16,27,31H,12,17-24H2,2H3,(H,36,38);2*3-13,15-16,28,31H,14,17-24H2,1-2H3,(H,35,37);2-9,11-13,19,25,30H,10,14-18,20-22H2,1H3,(H,36,38);2*2-11,13-14,20,26,30H,12,15-19,21-23H2,1H3,(H,35,37);2-10,12-15,26,30H,11,16-23H2,1H3,(H,35,37);1H4/t36-;30-;3*31-;4*30-;/m000000000./s1
InChIKeyRHPMPCSYAPXKIF-SOJHDXDZSA-N
XLogP48.20
TPSA796.51 Ų
H-Bond Donors9
H-Bond Acceptors48
Rotatable Bonds112
Heavy Atoms382
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005258.68
LogP ≤ 548.20
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1048

Analyze methane;methyl (2S)-2-[[2-[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-(3,3-diphenylpropanoyl)piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-isocyanophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;bis(methyl (2S)-2-[[2-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate);methyl (2S)-3-(4-phenylmethoxyphenyl)-2-[[2-[1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidin-4-yl]acetyl]amino]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;methyl (2S)-2-[[2-[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-(3,3-diphenylpropanoyl)piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-isocyanophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;bis(methyl (2S)-2-[[2-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate);methyl (2S)-3-(4-phenylmethoxyphenyl)-2-[[2-[1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidin-4-yl]acetyl]amino]propanoate?
The IUPAC name of methane;methyl (2S)-2-[[2-[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-(3,3-diphenylpropanoyl)piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-isocyanophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;bis(methyl (2S)-2-[[2-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate);methyl (2S)-3-(4-phenylmethoxyphenyl)-2-[[2-[1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidin-4-yl]acetyl]amino]propanoate (CID 160628441) is methane;methyl (2S)-2-[[2-[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-(3,3-diphenylpropanoyl)piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-isocyanophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;bis(methyl (2S)-2-[[2-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate);methyl (2S)-3-(4-phenylmethoxyphenyl)-2-[[2-[1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidin-4-yl]acetyl]amino]propanoate.
What is the SMILES notation for methane;methyl (2S)-2-[[2-[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-(3,3-diphenylpropanoyl)piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-isocyanophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;bis(methyl (2S)-2-[[2-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate);methyl (2S)-3-(4-phenylmethoxyphenyl)-2-[[2-[1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidin-4-yl]acetyl]amino]propanoate?
The canonical SMILES for methane;methyl (2S)-2-[[2-[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-(3,3-diphenylpropanoyl)piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-isocyanophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;bis(methyl (2S)-2-[[2-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate);methyl (2S)-3-(4-phenylmethoxyphenyl)-2-[[2-[1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidin-4-yl]acetyl]amino]propanoate is C.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2cc(OC)c(OC)c(OC)c2)CC1.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2ccc(C)cc2)CC1.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2ccc(C)cc2)CC1.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2ccc(F)cc2)CC1.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2cccc(Cl)c2)CC1.COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CC1CCN(C(=O)CCc2cccc(F)c2)CC1.[C-]#[N+]c1ccc(CCC(=O)N2CCC(CC(=O)N[C@@H](Cc3ccc(OCc4ccccc4)cc3)C(=O)OC)CC2)cc1.
What is the InChIKey of methane;methyl (2S)-2-[[2-[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-(3,3-diphenylpropanoyl)piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-isocyanophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;bis(methyl (2S)-2-[[2-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate);methyl (2S)-3-(4-phenylmethoxyphenyl)-2-[[2-[1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidin-4-yl]acetyl]amino]propanoate?
The InChIKey is RHPMPCSYAPXKIF-SOJHDXDZSA-N. The full InChI is InChI=1S/C39H42N2O5.C36H44N2O8.C34H37N3O5.2C34H40N2O5.C33H36Cl2N2O5.C33H37ClN2O5.2C33H37FN2O5.CH4/c1-45-39(44)36(25-29-17-19-34(20-18-29)46-28-31-11-5-2-6-12-31)40-37(42)26-30-21-23-41(24-22-30)38(43)27-35(32-13-7-3-8-14-32)33-15-9-4-10-16-33;1-42-31-21-28(22-32(43-2)35(31)44-3)12-15-34(40)38-18-16-26(17-19-38)23-33(39)37-30(36(41)45-4)20-25-10-13-29(14-11-25)46-24-27-8-6-5-7-9-27;1-35-29-13-8-25(9-14-29)12-17-33(39)37-20-18-27(19-21-37)23-32(38)36-31(34(40)41-2)22-26-10-15-30(16-11-26)42-24-28-6-4-3-5-7-28;2*1-25-8-10-26(11-9-25)14-17-33(38)36-20-18-28(19-21-36)23-32(37)35-31(34(39)40-2)22-27-12-15-30(16-13-27)41-24-29-6-4-3-5-7-29;1-41-33(40)30(20-24-7-11-27(12-8-24)42-22-26-5-3-2-4-6-26)36-31(38)21-25-15-17-37(18-16-25)32(39)14-10-23-9-13-28(34)29(35)19-23;2*1-40-33(39)30(21-25-10-13-29(14-11-25)41-23-27-6-3-2-4-7-27)35-31(37)22-26-16-18-36(19-17-26)32(38)15-12-24-8-5-9-28(34)20-24;1-40-33(39)30(21-25-9-14-29(15-10-25)41-23-27-5-3-2-4-6-27)35-31(37)22-26-17-19-36(20-18-26)32(38)16-11-24-7-12-28(34)13-8-24;/h2-20,30,35-36H,21-28H2,1H3,(H,40,42);5-11,13-14,21-22,26,30H,12,15-20,23-24H2,1-4H3,(H,37,39);3-11,13-16,27,31H,12,17-24H2,2H3,(H,36,38);2*3-13,15-16,28,31H,14,17-24H2,1-2H3,(H,35,37);2-9,11-13,19,25,30H,10,14-18,20-22H2,1H3,(H,36,38);2*2-11,13-14,20,26,30H,12,15-19,21-23H2,1H3,(H,35,37);2-10,12-15,26,30H,11,16-23H2,1H3,(H,35,37);1H4/t36-;30-;3*31-;4*30-;/m000000000./s1.
What are the key properties of methane;methyl (2S)-2-[[2-[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-(3,3-diphenylpropanoyl)piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-isocyanophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;bis(methyl (2S)-2-[[2-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate);methyl (2S)-3-(4-phenylmethoxyphenyl)-2-[[2-[1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidin-4-yl]acetyl]amino]propanoate?
methane;methyl (2S)-2-[[2-[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-(3,3-diphenylpropanoyl)piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-isocyanophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;bis(methyl (2S)-2-[[2-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate);methyl (2S)-3-(4-phenylmethoxyphenyl)-2-[[2-[1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidin-4-yl]acetyl]amino]propanoate has a molecular weight of 5258.68 g/mol, XLogP of 48.20, 112 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl (2S)-2-[[2-[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-(3,3-diphenylpropanoyl)piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;methyl (2S)-2-[[2-[1-[3-(4-isocyanophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;bis(methyl (2S)-2-[[2-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate);methyl (2S)-3-(4-phenylmethoxyphenyl)-2-[[2-[1-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperidin-4-yl]acetyl]amino]propanoate is sourced from PubChem (CID 160628441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).