(2R,3S)-2-[4-(cyclobutylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide

C180H217F5N18O11 — CID 157123127

IUPAC(2R,3S)-2-[4-(cyclobutylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCC3)cc2)cc1N1CCCC1.CCc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCCC3)cc2)cc1N1CCCC1.Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)C2c2ccc(CN3CCCC3C)cc2)cc1C.Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)C2c2ccc(NC3CCCC3)cc2)cc1OC(C)C.Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCCC3)cc2)cc1N1CCCC1
InChIInChI=1S/C38H47FN4O2.C37H45FN4O2.C36H43FN4O2.C35H42FN3O3.C34H40FN3O2/c1-3-27-16-21-31(25-34(27)42-22-7-8-23-42)41-37(44)32-14-10-24-43(38(45)35-26(2)11-9-15-33(35)39)36(32)28-17-19-30(20-18-28)40-29-12-5-4-6-13-29;1-25-15-18-30(24-33(25)41-21-6-7-22-41)40-36(43)31-13-9-23-42(37(44)34-26(2)10-8-14-32(34)38)35(31)27-16-19-29(20-17-27)39-28-11-4-3-5-12-28;1-3-25-14-19-29(23-32(25)40-20-4-5-21-40)39-35(42)30-12-8-22-41(36(43)33-24(2)9-6-13-31(33)37)34(30)26-15-17-28(18-16-26)38-27-10-7-11-27;1-22(2)42-31-21-28(17-14-23(31)3)38-34(40)29-12-8-20-39(35(41)32-24(4)9-7-13-30(32)36)33(29)25-15-18-27(19-16-25)37-26-10-5-6-11-26;1-22-12-17-28(20-24(22)3)36-33(39)29-10-7-19-38(34(40)31-23(2)8-5-11-30(31)35)32(29)27-15-13-26(14-16-27)21-37-18-6-9-25(37)4/h9,11,15-21,25,29,32,36,40H,3-8,10,12-14,22-24H2,1-2H3,(H,41,44);8,10,14-20,24,28,31,35,39H,3-7,9,11-13,21-23H2,1-2H3,(H,40,43);6,9,13-19,23,27,30,34,38H,3-5,7-8,10-12,20-22H2,1-2H3,(H,39,42);7,9,13-19,21-22,26,29,33,37H,5-6,8,10-12,20H2,1-4H3,(H,38,40);5,8,11-17,20,25,29,32H,6-7,9-10,18-19,21H2,1-4H3,(H,36,39)/t32-,36-;31-,35-;30-,34-;29-,33?;25?,29-,32?/m00000/s1
InChIKeyAIFBPGAAIFYLCX-RRTMSYJFSA-N
MW2903.82 g/mol
LogP38.57
Rot. Bonds37

About (2R,3S)-2-[4-(cyclobutylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide

(2R,3S)-2-[4-(cyclobutylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide (PubChem CID 157123127) has the molecular formula C180H217F5N18O11 and a molecular weight of 2903.82 g/mol. Its IUPAC name is (2R,3S)-2-[4-(cyclobutylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-[4-(cyclobutylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide
PubChem CID157123127
Molecular FormulaC180H217F5N18O11
Molecular Weight2903.82 g/mol
Exact Mass2901.69
IUPAC Name(2R,3S)-2-[4-(cyclobutylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCC3)cc2)cc1N1CCCC1.CCc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCCC3)cc2)cc1N1CCCC1.Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)C2c2ccc(CN3CCCC3C)cc2)cc1C.Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)C2c2ccc(NC3CCCC3)cc2)cc1OC(C)C.Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCCC3)cc2)cc1N1CCCC1
InChIInChI=1S/C38H47FN4O2.C37H45FN4O2.C36H43FN4O2.C35H42FN3O3.C34H40FN3O2/c1-3-27-16-21-31(25-34(27)42-22-7-8-23-42)41-37(44)32-14-10-24-43(38(45)35-26(2)11-9-15-33(35)39)36(32)28-17-19-30(20-18-28)40-29-12-5-4-6-13-29;1-25-15-18-30(24-33(25)41-21-6-7-22-41)40-36(43)31-13-9-23-42(37(44)34-26(2)10-8-14-32(34)38)35(31)27-16-19-29(20-17-27)39-28-11-4-3-5-12-28;1-3-25-14-19-29(23-32(25)40-20-4-5-21-40)39-35(42)30-12-8-22-41(36(43)33-24(2)9-6-13-31(33)37)34(30)26-15-17-28(18-16-26)38-27-10-7-11-27;1-22(2)42-31-21-28(17-14-23(31)3)38-34(40)29-12-8-20-39(35(41)32-24(4)9-7-13-30(32)36)33(29)25-15-18-27(19-16-25)37-26-10-5-6-11-26;1-22-12-17-28(20-24(22)3)36-33(39)29-10-7-19-38(34(40)31-23(2)8-5-11-30(31)35)32(29)27-15-13-26(14-16-27)21-37-18-6-9-25(37)4/h9,11,15-21,25,29,32,36,40H,3-8,10,12-14,22-24H2,1-2H3,(H,41,44);8,10,14-20,24,28,31,35,39H,3-7,9,11-13,21-23H2,1-2H3,(H,40,43);6,9,13-19,23,27,30,34,38H,3-5,7-8,10-12,20-22H2,1-2H3,(H,39,42);7,9,13-19,21-22,26,29,33,37H,5-6,8,10-12,20H2,1-4H3,(H,38,40);5,8,11-17,20,25,29,32H,6-7,9-10,18-19,21H2,1-4H3,(H,36,39)/t32-,36-;31-,35-;30-,34-;29-,33?;25?,29-,32?/m00000/s1
InChIKeyAIFBPGAAIFYLCX-RRTMSYJFSA-N
XLogP38.57
TPSA317.36 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds37
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002903.82
LogP ≤ 538.57
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

Analyze (2R,3S)-2-[4-(cyclobutylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[4-(cyclobutylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of (2R,3S)-2-[4-(cyclobutylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide (CID 157123127) is (2R,3S)-2-[4-(cyclobutylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-[4-(cyclobutylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-[4-(cyclobutylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide is CCc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCC3)cc2)cc1N1CCCC1.CCc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCCC3)cc2)cc1N1CCCC1.Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)C2c2ccc(CN3CCCC3C)cc2)cc1C.Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)C2c2ccc(NC3CCCC3)cc2)cc1OC(C)C.Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCCC3)cc2)cc1N1CCCC1.
What is the InChIKey of (2R,3S)-2-[4-(cyclobutylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide?
The InChIKey is AIFBPGAAIFYLCX-RRTMSYJFSA-N. The full InChI is InChI=1S/C38H47FN4O2.C37H45FN4O2.C36H43FN4O2.C35H42FN3O3.C34H40FN3O2/c1-3-27-16-21-31(25-34(27)42-22-7-8-23-42)41-37(44)32-14-10-24-43(38(45)35-26(2)11-9-15-33(35)39)36(32)28-17-19-30(20-18-28)40-29-12-5-4-6-13-29;1-25-15-18-30(24-33(25)41-21-6-7-22-41)40-36(43)31-13-9-23-42(37(44)34-26(2)10-8-14-32(34)38)35(31)27-16-19-29(20-17-27)39-28-11-4-3-5-12-28;1-3-25-14-19-29(23-32(25)40-20-4-5-21-40)39-35(42)30-12-8-22-41(36(43)33-24(2)9-6-13-31(33)37)34(30)26-15-17-28(18-16-26)38-27-10-7-11-27;1-22(2)42-31-21-28(17-14-23(31)3)38-34(40)29-12-8-20-39(35(41)32-24(4)9-7-13-30(32)36)33(29)25-15-18-27(19-16-25)37-26-10-5-6-11-26;1-22-12-17-28(20-24(22)3)36-33(39)29-10-7-19-38(34(40)31-23(2)8-5-11-30(31)35)32(29)27-15-13-26(14-16-27)21-37-18-6-9-25(37)4/h9,11,15-21,25,29,32,36,40H,3-8,10,12-14,22-24H2,1-2H3,(H,41,44);8,10,14-20,24,28,31,35,39H,3-7,9,11-13,21-23H2,1-2H3,(H,40,43);6,9,13-19,23,27,30,34,38H,3-5,7-8,10-12,20-22H2,1-2H3,(H,39,42);7,9,13-19,21-22,26,29,33,37H,5-6,8,10-12,20H2,1-4H3,(H,38,40);5,8,11-17,20,25,29,32H,6-7,9-10,18-19,21H2,1-4H3,(H,36,39)/t32-,36-;31-,35-;30-,34-;29-,33?;25?,29-,32?/m00000/s1.
What are the key properties of (2R,3S)-2-[4-(cyclobutylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide?
(2R,3S)-2-[4-(cyclobutylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide has a molecular weight of 2903.82 g/mol, XLogP of 38.57, 37 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[4-(cyclobutylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-N-(4-ethyl-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide;(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-methyl-3-propan-2-yloxyphenyl)piperidine-3-carboxamide;(2R,3S)-N-(3,4-dimethylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 157123127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).