(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(2-cyclobutylethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxamide;bis((2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide)

C144H181F4N11O8 — CID 158054523

IUPAC(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(2-cyclobutylethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxamide;bis((2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide)
SMILESCc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C(C)(C)C)c3)C2c2ccc(N(C)CC(C)(C)C)cc2)c(F)c1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)C1c1ccc(N(C)CC(C)(C)C)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)C1c1ccc(N(C)CC(C)(C)C)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1c1ccc(CCC2CCC2)cc1
InChIInChI=1S/3C36H46FN3O2.C36H43FN2O2/c2*1-24-12-9-16-30(37)31(24)34(42)40-21-11-15-29(33(41)38-27-14-10-13-26(22-27)36(5,6)7)32(40)25-17-19-28(20-18-25)39(8)23-35(2,3)4;1-24-14-19-29(31(37)21-24)34(42)40-20-10-13-30(33(41)38-27-12-9-11-26(22-27)36(5,6)7)32(40)25-15-17-28(18-16-25)39(8)23-35(2,3)4;1-24-9-5-15-31(37)32(24)35(41)39-22-8-14-30(34(40)38-29-13-7-12-28(23-29)36(2,3)4)33(39)27-20-18-26(19-21-27)17-16-25-10-6-11-25/h2*9-10,12-14,16-20,22,29,32H,11,15,21,23H2,1-8H3,(H,38,41);9,11-12,14-19,21-22,30,32H,10,13,20,23H2,1-8H3,(H,38,41);5,7,9,12-13,15,18-21,23,25,30,33H,6,8,10-11,14,16-17,22H2,1-4H3,(H,38,40)/t2*29-,32?;30-,32?;30-,33-/m0000/s1
InChIKeyFJWMMSIUTXIBBH-LQCFDWNJSA-N
MW2270.09 g/mol
LogP32.83
Rot. Bonds25

About (2R,3S)-N-(3-tert-butylphenyl)-2-[4-(2-cyclobutylethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxamide;bis((2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide)

(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(2-cyclobutylethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxamide;bis((2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide) (PubChem CID 158054523) has the molecular formula C144H181F4N11O8 and a molecular weight of 2270.09 g/mol. Its IUPAC name is (2R,3S)-N-(3-tert-butylphenyl)-2-[4-(2-cyclobutylethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxamide;bis((2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide).

Molecular Properties

Compound Name(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(2-cyclobutylethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxamide;bis((2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide)
PubChem CID158054523
Molecular FormulaC144H181F4N11O8
Molecular Weight2270.09 g/mol
Exact Mass2268.40
IUPAC Name(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(2-cyclobutylethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxamide;bis((2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide)
SMILESCc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C(C)(C)C)c3)C2c2ccc(N(C)CC(C)(C)C)cc2)c(F)c1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)C1c1ccc(N(C)CC(C)(C)C)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)C1c1ccc(N(C)CC(C)(C)C)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1c1ccc(CCC2CCC2)cc1
InChIInChI=1S/3C36H46FN3O2.C36H43FN2O2/c2*1-24-12-9-16-30(37)31(24)34(42)40-21-11-15-29(33(41)38-27-14-10-13-26(22-27)36(5,6)7)32(40)25-17-19-28(20-18-25)39(8)23-35(2,3)4;1-24-14-19-29(31(37)21-24)34(42)40-20-10-13-30(33(41)38-27-12-9-11-26(22-27)36(5,6)7)32(40)25-15-17-28(18-16-25)39(8)23-35(2,3)4;1-24-9-5-15-31(37)32(24)35(41)39-22-8-14-30(34(40)38-29-13-7-12-28(23-29)36(2,3)4)33(39)27-20-18-26(19-21-27)17-16-25-10-6-11-25/h2*9-10,12-14,16-20,22,29,32H,11,15,21,23H2,1-8H3,(H,38,41);9,11-12,14-19,21-22,30,32H,10,13,20,23H2,1-8H3,(H,38,41);5,7,9,12-13,15,18-21,23,25,30,33H,6,8,10-11,14,16-17,22H2,1-4H3,(H,38,40)/t2*29-,32?;30-,32?;30-,33-/m0000/s1
InChIKeyFJWMMSIUTXIBBH-LQCFDWNJSA-N
XLogP32.83
TPSA207.36 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds25
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002270.09
LogP ≤ 532.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze (2R,3S)-N-(3-tert-butylphenyl)-2-[4-(2-cyclobutylethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxamide;bis((2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide) with MolForge

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Related Compounds

(3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(3-hydroxypropyl)phenyl]piperidine-3-carboxamide
CID 139317788
(2R)-N-(3-tert-butylphenyl)-2-[4-[(cyclobutylamino)methyl]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 138526895
(2R)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 121382004
(2R,3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]phenyl]piperidine-3-carboxamide
CID 70826890
(3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 147838203
N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(3-hydroxycyclopentyl)amino]phenyl]piperidine-3-carboxamide
CID 70880770
(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 59376161
(2R,3S)-N-(3-tert-butylphenyl)-1-(4-chloro-2-methylbenzoyl)-2-[4-(3,3-dimethylbutyl)phenyl]piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(cyclohexylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(3,3-dimethylbutyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(4-chloro-3-pyrrolidin-1-ylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-phenylpiperidine-3-carboxamide
CID 159553583
N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methyloxolan-3-yl)amino]phenyl]piperidine-3-carboxamide
CID 129074380
(3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-methyloxolan-3-yl)amino]phenyl]piperidine-3-carboxamide
CID 147532780
(2R)-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]-2-[4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide
CID 139318020
(2R)-N-(3-tert-butylphenyl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide
CID 149173476

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(3-tert-butylphenyl)-2-[4-(2-cyclobutylethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxamide;bis((2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide)?
The IUPAC name of (2R,3S)-N-(3-tert-butylphenyl)-2-[4-(2-cyclobutylethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxamide;bis((2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide) (CID 158054523) is (2R,3S)-N-(3-tert-butylphenyl)-2-[4-(2-cyclobutylethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxamide;bis((2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide).
What is the SMILES notation for (2R,3S)-N-(3-tert-butylphenyl)-2-[4-(2-cyclobutylethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxamide;bis((2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide)?
The canonical SMILES for (2R,3S)-N-(3-tert-butylphenyl)-2-[4-(2-cyclobutylethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxamide;bis((2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide) is Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(C(C)(C)C)c3)C2c2ccc(N(C)CC(C)(C)C)cc2)c(F)c1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)C1c1ccc(N(C)CC(C)(C)C)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)C1c1ccc(N(C)CC(C)(C)C)cc1.Cc1cccc(F)c1C(=O)N1CCC[C@H](C(=O)Nc2cccc(C(C)(C)C)c2)[C@@H]1c1ccc(CCC2CCC2)cc1.
What is the InChIKey of (2R,3S)-N-(3-tert-butylphenyl)-2-[4-(2-cyclobutylethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxamide;bis((2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide)?
The InChIKey is FJWMMSIUTXIBBH-LQCFDWNJSA-N. The full InChI is InChI=1S/3C36H46FN3O2.C36H43FN2O2/c2*1-24-12-9-16-30(37)31(24)34(42)40-21-11-15-29(33(41)38-27-14-10-13-26(22-27)36(5,6)7)32(40)25-17-19-28(20-18-25)39(8)23-35(2,3)4;1-24-14-19-29(31(37)21-24)34(42)40-20-10-13-30(33(41)38-27-12-9-11-26(22-27)36(5,6)7)32(40)25-15-17-28(18-16-25)39(8)23-35(2,3)4;1-24-9-5-15-31(37)32(24)35(41)39-22-8-14-30(34(40)38-29-13-7-12-28(23-29)36(2,3)4)33(39)27-20-18-26(19-21-27)17-16-25-10-6-11-25/h2*9-10,12-14,16-20,22,29,32H,11,15,21,23H2,1-8H3,(H,38,41);9,11-12,14-19,21-22,30,32H,10,13,20,23H2,1-8H3,(H,38,41);5,7,9,12-13,15,18-21,23,25,30,33H,6,8,10-11,14,16-17,22H2,1-4H3,(H,38,40)/t2*29-,32?;30-,32?;30-,33-/m0000/s1.
What are the key properties of (2R,3S)-N-(3-tert-butylphenyl)-2-[4-(2-cyclobutylethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxamide;bis((2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide)?
(2R,3S)-N-(3-tert-butylphenyl)-2-[4-(2-cyclobutylethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxamide;bis((2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide) has a molecular weight of 2270.09 g/mol, XLogP of 32.83, 25 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(3-tert-butylphenyl)-2-[4-(2-cyclobutylethyl)phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide;(2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-4-methylbenzoyl)piperidine-3-carboxamide;bis((2R,3S)-N-(3-tert-butylphenyl)-2-[4-[2,2-dimethylpropyl(methyl)amino]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide) is sourced from PubChem (CID 158054523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).