(3R)-3-[(1S)-4-acetamido-1-(3,5-difluorophenyl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-4-acetamido-1-(2,3-difluorophenyl)-1-hydroxybutyl]-N-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;bis((3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-hydroxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide);(3R)-3-[(1S)-1-(2,3-difluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(methylamino)-3-(4-methylcyclohexyl)propan-2-yl]piperidine-1-carboxamide

C140H225Cl2F6N17O18 — CID 162099581

IUPAC(3R)-3-[(1S)-4-acetamido-1-(3,5-difluorophenyl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-4-acetamido-1-(2,3-difluorophenyl)-1-hydroxybutyl]-N-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;bis((3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-hydroxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide);(3R)-3-[(1S)-1-(2,3-difluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(methylamino)-3-(4-methylcyclohexyl)propan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@@H](NC(=O)N1CCC[C@@H]([C@@](O)(CCCNC(C)=O)c2cccc(F)c2F)C1)[C@@H](O)C1CCCC1.CNC[C@H](CC1CCC(C)CC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(F)c2F)C1.CNC[C@H](CC1CCC(O)CC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(Cl)c2)C1.CNC[C@H](CC1CCC(O)CC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(Cl)c2)C1.CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCNC(C)=O)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C29H47F2N3O3.2C28H46ClN3O4.C28H44F2N4O3.C27H42F2N4O4/c1-21-11-13-22(14-12-21)18-24(19-32-2)33-28(35)34-16-7-8-23(20-34)29(36,15-4-5-17-37-3)25-9-6-10-26(30)27(25)31;2*1-30-19-25(17-21-10-12-26(33)13-11-21)31-27(34)32-15-6-8-23(20-32)28(35,14-3-4-16-36-2)22-7-5-9-24(29)18-22;1-20(35)32-12-7-11-28(37,23-15-24(29)17-25(30)16-23)22-10-6-13-34(19-22)27(36)33-26(18-31-2)14-21-8-4-3-5-9-21;1-18(34)31-14-7-13-27(37,21-11-5-12-22(28)24(21)29)20-10-6-15-33(17-20)26(36)32-23(16-30-2)25(35)19-8-3-4-9-19/h6,9-10,21-24,32,36H,4-5,7-8,11-20H2,1-3H3,(H,33,35);2*5,7,9,18,21,23,25-26,30,33,35H,3-4,6,8,10-17,19-20H2,1-2H3,(H,31,34);15-17,21-22,26,31,37H,3-14,18-19H2,1-2H3,(H,32,35)(H,33,36);5,11-12,19-20,23,25,30,35,37H,3-4,6-10,13-17H2,1-2H3,(H,31,34)(H,32,36)/t21?,22?,23-,24+,29+;2*21?,23-,25+,26?,28-;22-,26+,28+;20-,23-,25+,27+/m11111/s1
InChIKeyZERWDOZPGKHZLF-MZQPKDGRSA-N
MW2619.33 g/mol
LogP20.46
Rot. Bonds58

About (3R)-3-[(1S)-4-acetamido-1-(3,5-difluorophenyl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-4-acetamido-1-(2,3-difluorophenyl)-1-hydroxybutyl]-N-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;bis((3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-hydroxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide);(3R)-3-[(1S)-1-(2,3-difluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(methylamino)-3-(4-methylcyclohexyl)propan-2-yl]piperidine-1-carboxamide

(3R)-3-[(1S)-4-acetamido-1-(3,5-difluorophenyl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-4-acetamido-1-(2,3-difluorophenyl)-1-hydroxybutyl]-N-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;bis((3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-hydroxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide);(3R)-3-[(1S)-1-(2,3-difluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(methylamino)-3-(4-methylcyclohexyl)propan-2-yl]piperidine-1-carboxamide (PubChem CID 162099581) has the molecular formula C140H225Cl2F6N17O18 and a molecular weight of 2619.33 g/mol. Its IUPAC name is (3R)-3-[(1S)-4-acetamido-1-(3,5-difluorophenyl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-4-acetamido-1-(2,3-difluorophenyl)-1-hydroxybutyl]-N-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;bis((3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-hydroxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide);(3R)-3-[(1S)-1-(2,3-difluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(methylamino)-3-(4-methylcyclohexyl)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(1S)-4-acetamido-1-(3,5-difluorophenyl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-4-acetamido-1-(2,3-difluorophenyl)-1-hydroxybutyl]-N-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;bis((3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-hydroxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide);(3R)-3-[(1S)-1-(2,3-difluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(methylamino)-3-(4-methylcyclohexyl)propan-2-yl]piperidine-1-carboxamide
PubChem CID162099581
Molecular FormulaC140H225Cl2F6N17O18
Molecular Weight2619.33 g/mol
Exact Mass2616.65
IUPAC Name(3R)-3-[(1S)-4-acetamido-1-(3,5-difluorophenyl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-4-acetamido-1-(2,3-difluorophenyl)-1-hydroxybutyl]-N-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;bis((3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-hydroxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide);(3R)-3-[(1S)-1-(2,3-difluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(methylamino)-3-(4-methylcyclohexyl)propan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@@H](NC(=O)N1CCC[C@@H]([C@@](O)(CCCNC(C)=O)c2cccc(F)c2F)C1)[C@@H](O)C1CCCC1.CNC[C@H](CC1CCC(C)CC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(F)c2F)C1.CNC[C@H](CC1CCC(O)CC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(Cl)c2)C1.CNC[C@H](CC1CCC(O)CC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(Cl)c2)C1.CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCNC(C)=O)c2cc(F)cc(F)c2)C1
InChIInChI=1S/C29H47F2N3O3.2C28H46ClN3O4.C28H44F2N4O3.C27H42F2N4O4/c1-21-11-13-22(14-12-21)18-24(19-32-2)33-28(35)34-16-7-8-23(20-34)29(36,15-4-5-17-37-3)25-9-6-10-26(30)27(25)31;2*1-30-19-25(17-21-10-12-26(33)13-11-21)31-27(34)32-15-6-8-23(20-32)28(35,14-3-4-16-36-2)22-7-5-9-24(29)18-22;1-20(35)32-12-7-11-28(37,23-15-24(29)17-25(30)16-23)22-10-6-13-34(19-22)27(36)33-26(18-31-2)14-21-8-4-3-5-9-21;1-18(34)31-14-7-13-27(37,21-11-5-12-22(28)24(21)29)20-10-6-15-33(17-20)26(36)32-23(16-30-2)25(35)19-8-3-4-9-19/h6,9-10,21-24,32,36H,4-5,7-8,11-20H2,1-3H3,(H,33,35);2*5,7,9,18,21,23,25-26,30,33,35H,3-4,6,8,10-17,19-20H2,1-2H3,(H,31,34);15-17,21-22,26,31,37H,3-14,18-19H2,1-2H3,(H,32,35)(H,33,36);5,11-12,19-20,23,25,30,35,37H,3-4,6-10,13-17H2,1-2H3,(H,31,34)(H,32,36)/t21?,22?,23-,24+,29+;2*21?,23-,25+,26?,28-;22-,26+,28+;20-,23-,25+,27+/m11111/s1
InChIKeyZERWDOZPGKHZLF-MZQPKDGRSA-N
XLogP20.46
TPSA469.58 Ų
H-Bond Donors20
H-Bond Acceptors23
Rotatable Bonds58
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002619.33
LogP ≤ 520.46
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-3-[(1S)-4-acetamido-1-(3,5-difluorophenyl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-4-acetamido-1-(2,3-difluorophenyl)-1-hydroxybutyl]-N-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;bis((3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-hydroxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide);(3R)-3-[(1S)-1-(2,3-difluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(methylamino)-3-(4-methylcyclohexyl)propan-2-yl]piperidine-1-carboxamide with MolForge

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Related Compounds

N-[1-cyclohexyl-1-hydroxy-3-(methylamino)propan-2-yl]-3-[1-(2,3-difluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
CID 67192845
3-[4-acetamido-1-(2,3-difluorophenyl)-1-hydroxybutyl]-N-[1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 67190530
N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(3-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
CID 11584044
3-[4-acetamido-1-(3,5-difluorophenyl)-1-hydroxybutyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 67192332
(3R)-3-[(1S)-4-acetamido-1-(3-chlorophenyl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;2-[(1S)-1-hydroxy-5-methoxy-1-(3-methylsulfanylphenyl)pentyl]piperidine-1-carboxamide
CID 69475100
(3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 87303795
(3R)-3-[(1S)-1-(2-chloro-3-fluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[1-cyclopentyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 67192712
3-[(1S)-1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 67191182
(3R)-3-[(1S)-1-[2-(3-chlorophenyl)-3-fluorophenyl]-1-hydroxy-5-methoxypentyl]-N-[1-cyclopentyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 67192085
methyl N-[(4S)-4-[(3R)-1-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]carbamoyl]piperidin-3-yl]-4-(2,3-difluorophenyl)-4-hydroxybutyl]carbamate
CID 59201481
methyl N-[(4S)-4-(3-chlorophenyl)-4-[(3R)-1-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]carbamoyl]piperidin-3-yl]-4-hydroxybutyl]carbamate
CID 46225011
N-[1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[1-(3-fluoro-2-hydroxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide
CID 67189868

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S)-4-acetamido-1-(3,5-difluorophenyl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-4-acetamido-1-(2,3-difluorophenyl)-1-hydroxybutyl]-N-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;bis((3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-hydroxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide);(3R)-3-[(1S)-1-(2,3-difluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(methylamino)-3-(4-methylcyclohexyl)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[(1S)-4-acetamido-1-(3,5-difluorophenyl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-4-acetamido-1-(2,3-difluorophenyl)-1-hydroxybutyl]-N-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;bis((3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-hydroxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide);(3R)-3-[(1S)-1-(2,3-difluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(methylamino)-3-(4-methylcyclohexyl)propan-2-yl]piperidine-1-carboxamide (CID 162099581) is (3R)-3-[(1S)-4-acetamido-1-(3,5-difluorophenyl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-4-acetamido-1-(2,3-difluorophenyl)-1-hydroxybutyl]-N-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;bis((3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-hydroxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide);(3R)-3-[(1S)-1-(2,3-difluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(methylamino)-3-(4-methylcyclohexyl)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(1S)-4-acetamido-1-(3,5-difluorophenyl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-4-acetamido-1-(2,3-difluorophenyl)-1-hydroxybutyl]-N-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;bis((3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-hydroxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide);(3R)-3-[(1S)-1-(2,3-difluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(methylamino)-3-(4-methylcyclohexyl)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(1S)-4-acetamido-1-(3,5-difluorophenyl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-4-acetamido-1-(2,3-difluorophenyl)-1-hydroxybutyl]-N-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;bis((3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-hydroxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide);(3R)-3-[(1S)-1-(2,3-difluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(methylamino)-3-(4-methylcyclohexyl)propan-2-yl]piperidine-1-carboxamide is CNC[C@@H](NC(=O)N1CCC[C@@H]([C@@](O)(CCCNC(C)=O)c2cccc(F)c2F)C1)[C@@H](O)C1CCCC1.CNC[C@H](CC1CCC(C)CC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(F)c2F)C1.CNC[C@H](CC1CCC(O)CC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(Cl)c2)C1.CNC[C@H](CC1CCC(O)CC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(Cl)c2)C1.CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCNC(C)=O)c2cc(F)cc(F)c2)C1.
What is the InChIKey of (3R)-3-[(1S)-4-acetamido-1-(3,5-difluorophenyl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-4-acetamido-1-(2,3-difluorophenyl)-1-hydroxybutyl]-N-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;bis((3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-hydroxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide);(3R)-3-[(1S)-1-(2,3-difluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(methylamino)-3-(4-methylcyclohexyl)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is ZERWDOZPGKHZLF-MZQPKDGRSA-N. The full InChI is InChI=1S/C29H47F2N3O3.2C28H46ClN3O4.C28H44F2N4O3.C27H42F2N4O4/c1-21-11-13-22(14-12-21)18-24(19-32-2)33-28(35)34-16-7-8-23(20-34)29(36,15-4-5-17-37-3)25-9-6-10-26(30)27(25)31;2*1-30-19-25(17-21-10-12-26(33)13-11-21)31-27(34)32-15-6-8-23(20-32)28(35,14-3-4-16-36-2)22-7-5-9-24(29)18-22;1-20(35)32-12-7-11-28(37,23-15-24(29)17-25(30)16-23)22-10-6-13-34(19-22)27(36)33-26(18-31-2)14-21-8-4-3-5-9-21;1-18(34)31-14-7-13-27(37,21-11-5-12-22(28)24(21)29)20-10-6-15-33(17-20)26(36)32-23(16-30-2)25(35)19-8-3-4-9-19/h6,9-10,21-24,32,36H,4-5,7-8,11-20H2,1-3H3,(H,33,35);2*5,7,9,18,21,23,25-26,30,33,35H,3-4,6,8,10-17,19-20H2,1-2H3,(H,31,34);15-17,21-22,26,31,37H,3-14,18-19H2,1-2H3,(H,32,35)(H,33,36);5,11-12,19-20,23,25,30,35,37H,3-4,6-10,13-17H2,1-2H3,(H,31,34)(H,32,36)/t21?,22?,23-,24+,29+;2*21?,23-,25+,26?,28-;22-,26+,28+;20-,23-,25+,27+/m11111/s1.
What are the key properties of (3R)-3-[(1S)-4-acetamido-1-(3,5-difluorophenyl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-4-acetamido-1-(2,3-difluorophenyl)-1-hydroxybutyl]-N-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;bis((3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-hydroxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide);(3R)-3-[(1S)-1-(2,3-difluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(methylamino)-3-(4-methylcyclohexyl)propan-2-yl]piperidine-1-carboxamide?
(3R)-3-[(1S)-4-acetamido-1-(3,5-difluorophenyl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-4-acetamido-1-(2,3-difluorophenyl)-1-hydroxybutyl]-N-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;bis((3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-hydroxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide);(3R)-3-[(1S)-1-(2,3-difluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(methylamino)-3-(4-methylcyclohexyl)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 2619.33 g/mol, XLogP of 20.46, 58 rotatable bonds, 20 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S)-4-acetamido-1-(3,5-difluorophenyl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;(3R)-3-[(1S)-4-acetamido-1-(2,3-difluorophenyl)-1-hydroxybutyl]-N-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]piperidine-1-carboxamide;bis((3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(4-hydroxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide);(3R)-3-[(1S)-1-(2,3-difluorophenyl)-1-hydroxy-5-methoxypentyl]-N-[(2S)-1-(methylamino)-3-(4-methylcyclohexyl)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 162099581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).