N-benzyl-2-[1-[4-[2-[2-(4-tert-butylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide;N-ethyl-2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-prop-2-enylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide

C193H184F12N16O10 — CID 160602384

IUPACN-benzyl-2-[1-[4-[2-[2-(4-tert-butylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide;N-ethyl-2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-prop-2-enylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
SMILESC=CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(CC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)CC1.CC(C)(C)c1ccc(-c2ccccc2C(=O)Cc2ccc(N3CCC(C(C(=O)NCc4ccccc4)c4ccccc4)CC3)cc2)cc1.CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(CC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)CC1.O=C(Cc1ccc(N2CCN(C(C(=O)NCc3ccccn3)c3ccccc3)CC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1.O=C(Cc1ccc(N2CCN(C(C(=O)NCc3cccnc3)c3ccccc3)CC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C44H46N2O2.2C39H35F3N4O2.C36H34F3N3O2.C35H34F3N3O2/c1-44(2,3)37-22-20-34(21-23-37)39-16-10-11-17-40(39)41(47)30-32-18-24-38(25-19-32)46-28-26-36(27-29-46)42(35-14-8-5-9-15-35)43(48)45-31-33-12-6-4-7-13-33;40-39(41,42)31-17-15-29(16-18-31)34-11-4-5-12-35(34)36(47)26-28-13-19-33(20-14-28)45-22-24-46(25-23-45)37(30-8-2-1-3-9-30)38(48)44-27-32-10-6-7-21-43-32;40-39(41,42)32-16-14-30(15-17-32)34-10-4-5-11-35(34)36(47)25-28-12-18-33(19-13-28)45-21-23-46(24-22-45)37(31-8-2-1-3-9-31)38(48)44-27-29-7-6-20-43-26-29;1-2-20-40-35(44)34(28-8-4-3-5-9-28)42-23-21-41(22-24-42)30-18-12-26(13-19-30)25-33(43)32-11-7-6-10-31(32)27-14-16-29(17-15-27)36(37,38)39;1-2-39-34(43)33(27-8-4-3-5-9-27)41-22-20-40(21-23-41)29-18-12-25(13-19-29)24-32(42)31-11-7-6-10-30(31)26-14-16-28(17-15-26)35(36,37)38/h4-25,36,42H,26-31H2,1-3H3,(H,45,48);1-21,37H,22-27H2,(H,44,48);1-20,26,37H,21-25,27H2,(H,44,48);2-19,34H,1,20-25H2,(H,40,44);3-19,33H,2,20-24H2,1H3,(H,39,43)
InChIKeyRELHOKVPYPWKMG-UHFFFAOYSA-N
MW3115.67 g/mol
LogP37.90
Rot. Bonds49

About N-benzyl-2-[1-[4-[2-[2-(4-tert-butylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide;N-ethyl-2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-prop-2-enylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide

N-benzyl-2-[1-[4-[2-[2-(4-tert-butylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide;N-ethyl-2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-prop-2-enylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 160602384) has the molecular formula C193H184F12N16O10 and a molecular weight of 3115.67 g/mol. Its IUPAC name is N-benzyl-2-[1-[4-[2-[2-(4-tert-butylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide;N-ethyl-2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-prop-2-enylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-[4-[2-[2-(4-tert-butylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide;N-ethyl-2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-prop-2-enylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID160602384
Molecular FormulaC193H184F12N16O10
Molecular Weight3115.67 g/mol
Exact Mass3113.42
IUPAC NameN-benzyl-2-[1-[4-[2-[2-(4-tert-butylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide;N-ethyl-2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-prop-2-enylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
SMILESC=CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(CC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)CC1.CC(C)(C)c1ccc(-c2ccccc2C(=O)Cc2ccc(N3CCC(C(C(=O)NCc4ccccc4)c4ccccc4)CC3)cc2)cc1.CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(CC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)CC1.O=C(Cc1ccc(N2CCN(C(C(=O)NCc3ccccn3)c3ccccc3)CC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1.O=C(Cc1ccc(N2CCN(C(C(=O)NCc3cccnc3)c3ccccc3)CC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C44H46N2O2.2C39H35F3N4O2.C36H34F3N3O2.C35H34F3N3O2/c1-44(2,3)37-22-20-34(21-23-37)39-16-10-11-17-40(39)41(47)30-32-18-24-38(25-19-32)46-28-26-36(27-29-46)42(35-14-8-5-9-15-35)43(48)45-31-33-12-6-4-7-13-33;40-39(41,42)31-17-15-29(16-18-31)34-11-4-5-12-35(34)36(47)26-28-13-19-33(20-14-28)45-22-24-46(25-23-45)37(30-8-2-1-3-9-30)38(48)44-27-32-10-6-7-21-43-32;40-39(41,42)32-16-14-30(15-17-32)34-10-4-5-11-35(34)36(47)25-28-12-18-33(19-13-28)45-21-23-46(24-22-45)37(31-8-2-1-3-9-31)38(48)44-27-29-7-6-20-43-26-29;1-2-20-40-35(44)34(28-8-4-3-5-9-28)42-23-21-41(22-24-42)30-18-12-26(13-19-30)25-33(43)32-11-7-6-10-31(32)27-14-16-29(17-15-27)36(37,38)39;1-2-39-34(43)33(27-8-4-3-5-9-27)41-22-20-40(21-23-41)29-18-12-25(13-19-29)24-32(42)31-11-7-6-10-30(31)26-14-16-28(17-15-26)35(36,37)38/h4-25,36,42H,26-31H2,1-3H3,(H,45,48);1-21,37H,22-27H2,(H,44,48);1-20,26,37H,21-25,27H2,(H,44,48);2-19,34H,1,20-25H2,(H,40,44);3-19,33H,2,20-24H2,1H3,(H,39,43)
InChIKeyRELHOKVPYPWKMG-UHFFFAOYSA-N
XLogP37.90
TPSA285.79 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds49
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003115.67
LogP ≤ 537.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze N-benzyl-2-[1-[4-[2-[2-(4-tert-butylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide;N-ethyl-2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-prop-2-enylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cathepsin Inhibitor, Column 2 Row 2
CID 71463526
[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-3-fluorophenyl]-2-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone
CID 16040939
[3-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]-3-fluorophenyl]-2-pyridinyl]-[4-(3-fluoroanilino)piperidin-1-yl]methanone
CID 16040941
[4-(3,4-difluoroanilino)piperidin-1-yl]-[3-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-2-pyridinyl]methanone
CID 16041119
N-(1-(4-fluorobenzyl)piperidin-4-yl)-5-(4-(4-(methylsulfonyl)benzoyl)piperidine-1-carbonyl)picolinamide
CID 58073533
ALP-POS-02c6a514-6
CID 156906907
4-[[1-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]pyridine-2-carbonyl]piperidin-4-yl]amino]benzamide
CID 44570013
5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]pyridine-2-carboxamide
CID 24916864
N-(1-(4-fluorobenzyl)piperidin-4-yl)-6-(4-(4-(methylsulfonyl)benzoyl)piperidine-1-carbonyl)nicotinamide
CID 146676189
US11459339, Example 17
CID 139375283
N-[[2-[5-[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]-3-pyridinyl]-5-fluorophenyl]methyl]-4-[4-[[2-[5-[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]-3-pyridinyl]-5-fluorophenyl]methylcarbamoyl]phenyl]benzamide
CID 57389344
N-[[2-[5-[1-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]pyrrolidin-2-yl]-3-pyridinyl]-5-fluorophenyl]methyl]-4-[4-[[2-[5-[1-[2-cyclohexyl-2-[2-(methylamino)propanoylamino]acetyl]pyrrolidin-2-yl]-3-pyridinyl]-5-fluorophenyl]methylcarbamoyl]phenyl]benzamide
CID 76534451

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-[4-[2-[2-(4-tert-butylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide;N-ethyl-2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-prop-2-enylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[1-[4-[2-[2-(4-tert-butylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide;N-ethyl-2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-prop-2-enylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide (CID 160602384) is N-benzyl-2-[1-[4-[2-[2-(4-tert-butylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide;N-ethyl-2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-prop-2-enylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[1-[4-[2-[2-(4-tert-butylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide;N-ethyl-2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-prop-2-enylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[1-[4-[2-[2-(4-tert-butylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide;N-ethyl-2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-prop-2-enylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide is C=CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(CC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)CC1.CC(C)(C)c1ccc(-c2ccccc2C(=O)Cc2ccc(N3CCC(C(C(=O)NCc4ccccc4)c4ccccc4)CC3)cc2)cc1.CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(CC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)CC1.O=C(Cc1ccc(N2CCN(C(C(=O)NCc3ccccn3)c3ccccc3)CC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1.O=C(Cc1ccc(N2CCN(C(C(=O)NCc3cccnc3)c3ccccc3)CC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-benzyl-2-[1-[4-[2-[2-(4-tert-butylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide;N-ethyl-2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-prop-2-enylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is RELHOKVPYPWKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H46N2O2.2C39H35F3N4O2.C36H34F3N3O2.C35H34F3N3O2/c1-44(2,3)37-22-20-34(21-23-37)39-16-10-11-17-40(39)41(47)30-32-18-24-38(25-19-32)46-28-26-36(27-29-46)42(35-14-8-5-9-15-35)43(48)45-31-33-12-6-4-7-13-33;40-39(41,42)31-17-15-29(16-18-31)34-11-4-5-12-35(34)36(47)26-28-13-19-33(20-14-28)45-22-24-46(25-23-45)37(30-8-2-1-3-9-30)38(48)44-27-32-10-6-7-21-43-32;40-39(41,42)32-16-14-30(15-17-32)34-10-4-5-11-35(34)36(47)25-28-12-18-33(19-13-28)45-21-23-46(24-22-45)37(31-8-2-1-3-9-31)38(48)44-27-29-7-6-20-43-26-29;1-2-20-40-35(44)34(28-8-4-3-5-9-28)42-23-21-41(22-24-42)30-18-12-26(13-19-30)25-33(43)32-11-7-6-10-31(32)27-14-16-29(17-15-27)36(37,38)39;1-2-39-34(43)33(27-8-4-3-5-9-27)41-22-20-40(21-23-41)29-18-12-25(13-19-29)24-32(42)31-11-7-6-10-30(31)26-14-16-28(17-15-26)35(36,37)38/h4-25,36,42H,26-31H2,1-3H3,(H,45,48);1-21,37H,22-27H2,(H,44,48);1-20,26,37H,21-25,27H2,(H,44,48);2-19,34H,1,20-25H2,(H,40,44);3-19,33H,2,20-24H2,1H3,(H,39,43).
What are the key properties of N-benzyl-2-[1-[4-[2-[2-(4-tert-butylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide;N-ethyl-2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-prop-2-enylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide?
N-benzyl-2-[1-[4-[2-[2-(4-tert-butylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide;N-ethyl-2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-prop-2-enylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 3115.67 g/mol, XLogP of 37.90, 49 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-[4-[2-[2-(4-tert-butylphenyl)phenyl]-2-oxoethyl]phenyl]piperidin-4-yl]-2-phenylacetamide;N-ethyl-2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-prop-2-enylacetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide;2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 160602384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).