N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]-2-(4-tert-butylphenyl)benzamide;N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide

C188H179F12N21O10 — CID 158597924

IUPACN-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]-2-(4-tert-butylphenyl)benzamide;N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESC=CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)CC1.CC(C)(C)c1ccc(-c2ccccc2C(=O)Nc2ccc(N3CCC(C(C(=O)NCc4ccccc4)c4ccccc4)CC3)cc2)cc1.CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)CC1.O=C(Nc1ccc(N2CCN(C(C(=O)NCc3ccccn3)c3ccccc3)CC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1.O=C(Nc1ccc(N2CCN(C(C(=O)NCc3cccnc3)c3ccccc3)CC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C43H45N3O2.2C38H34F3N5O2.C35H33F3N4O2.C34H33F3N4O2/c1-43(2,3)35-20-18-32(19-21-35)38-16-10-11-17-39(38)41(47)45-36-22-24-37(25-23-36)46-28-26-34(27-29-46)40(33-14-8-5-9-15-33)42(48)44-30-31-12-6-4-7-13-31;39-38(40,41)29-15-13-27(14-16-29)33-11-4-5-12-34(33)36(47)44-30-17-19-32(20-18-30)45-22-24-46(25-23-45)35(28-8-2-1-3-9-28)37(48)43-26-31-10-6-7-21-42-31;39-38(40,41)30-14-12-28(13-15-30)33-10-4-5-11-34(33)36(47)44-31-16-18-32(19-17-31)45-21-23-46(24-22-45)35(29-8-2-1-3-9-29)37(48)43-26-27-7-6-20-42-25-27;1-2-20-39-34(44)32(26-8-4-3-5-9-26)42-23-21-41(22-24-42)29-18-16-28(17-19-29)40-33(43)31-11-7-6-10-30(31)25-12-14-27(15-13-25)35(36,37)38;1-2-38-33(43)31(25-8-4-3-5-9-25)41-22-20-40(21-23-41)28-18-16-27(17-19-28)39-32(42)30-11-7-6-10-29(30)24-12-14-26(15-13-24)34(35,36)37/h4-25,34,40H,26-30H2,1-3H3,(H,44,48)(H,45,47);1-21,35H,22-26H2,(H,43,48)(H,44,47);1-20,25,35H,21-24,26H2,(H,43,48)(H,44,47);2-19,32H,1,20-24H2,(H,39,44)(H,40,43);3-19,31H,2,20-23H2,1H3,(H,38,43)(H,39,42)
InChIKeyHVGOGRVXBFOFEG-UHFFFAOYSA-N
MW3120.61 g/mol
LogP37.03
Rot. Bonds44

About N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]-2-(4-tert-butylphenyl)benzamide;N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide

N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]-2-(4-tert-butylphenyl)benzamide;N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 158597924) has the molecular formula C188H179F12N21O10 and a molecular weight of 3120.61 g/mol. Its IUPAC name is N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]-2-(4-tert-butylphenyl)benzamide;N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]-2-(4-tert-butylphenyl)benzamide;N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID158597924
Molecular FormulaC188H179F12N21O10
Molecular Weight3120.61 g/mol
Exact Mass3118.40
IUPAC NameN-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]-2-(4-tert-butylphenyl)benzamide;N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESC=CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)CC1.CC(C)(C)c1ccc(-c2ccccc2C(=O)Nc2ccc(N3CCC(C(C(=O)NCc4ccccc4)c4ccccc4)CC3)cc2)cc1.CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)CC1.O=C(Nc1ccc(N2CCN(C(C(=O)NCc3ccccn3)c3ccccc3)CC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1.O=C(Nc1ccc(N2CCN(C(C(=O)NCc3cccnc3)c3ccccc3)CC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C43H45N3O2.2C38H34F3N5O2.C35H33F3N4O2.C34H33F3N4O2/c1-43(2,3)35-20-18-32(19-21-35)38-16-10-11-17-39(38)41(47)45-36-22-24-37(25-23-36)46-28-26-34(27-29-46)40(33-14-8-5-9-15-33)42(48)44-30-31-12-6-4-7-13-31;39-38(40,41)29-15-13-27(14-16-29)33-11-4-5-12-34(33)36(47)44-30-17-19-32(20-18-30)45-22-24-46(25-23-45)35(28-8-2-1-3-9-28)37(48)43-26-31-10-6-7-21-42-31;39-38(40,41)30-14-12-28(13-15-30)33-10-4-5-11-34(33)36(47)44-31-16-18-32(19-17-31)45-21-23-46(24-22-45)35(29-8-2-1-3-9-29)37(48)43-26-27-7-6-20-42-25-27;1-2-20-39-34(44)32(26-8-4-3-5-9-26)42-23-21-41(22-24-42)29-18-16-28(17-19-29)40-33(43)31-11-7-6-10-30(31)25-12-14-27(15-13-25)35(36,37)38;1-2-38-33(43)31(25-8-4-3-5-9-25)41-22-20-40(21-23-41)28-18-16-27(17-19-28)39-32(42)30-11-7-6-10-29(30)24-12-14-26(15-13-24)34(35,36)37/h4-25,34,40H,26-30H2,1-3H3,(H,44,48)(H,45,47);1-21,35H,22-26H2,(H,43,48)(H,44,47);1-20,25,35H,21-24,26H2,(H,43,48)(H,44,47);2-19,32H,1,20-24H2,(H,39,44)(H,40,43);3-19,31H,2,20-23H2,1H3,(H,38,43)(H,39,42)
InChIKeyHVGOGRVXBFOFEG-UHFFFAOYSA-N
XLogP37.03
TPSA345.94 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds44
Heavy Atoms231
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003120.61
LogP ≤ 537.03
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]-2-(4-tert-butylphenyl)benzamide;N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide with MolForge

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Related Compounds

Jnj-31020028
CID 25134625
N-[4-[4-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide
CID 25151875
(3-(4-(((3R,5S)-3,5-dimethylpiperazin-1-yl)methyl)phenyl)pyridin-2-yl)(4-(4-fluorophenylamino)piperidin-1-yl)methanone
CID 16040587
[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]phenyl]-2-pyridinyl]-[4-(3-fluoroanilino)piperidin-1-yl]methanone
CID 16040940
[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
[3-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-2-pyridinyl]-[4-(2-fluoroanilino)piperidin-1-yl]methanone
CID 16041483
(R)-N-(4-(4-(2-(diethylamino)-2-oxo-1-phenylethyl)piperazin-1-yl)-3-fluorophenyl)-2-(pyridin-3-yl)benzamide
CID 25151876
N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide
CID 25151877
[4-(4-fluoroanilino)piperidin-1-yl]-[3-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-2-pyridinyl]methanone
CID 16040758
N-((R)-3-(4-Fluorophenyl)-1-((S)-4-((S)-1-(methylamino)-3-(naphthalen-2-yl)-1-oxopropan-2-yl)-3-oxo-2-propylpiperazin-1-yl)-1-oxopropan-2-yl)picolinamide
CID 25132867

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]-2-(4-tert-butylphenyl)benzamide;N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]-2-(4-tert-butylphenyl)benzamide;N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide (CID 158597924) is N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]-2-(4-tert-butylphenyl)benzamide;N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]-2-(4-tert-butylphenyl)benzamide;N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]-2-(4-tert-butylphenyl)benzamide;N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is C=CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)CC1.CC(C)(C)c1ccc(-c2ccccc2C(=O)Nc2ccc(N3CCC(C(C(=O)NCc4ccccc4)c4ccccc4)CC3)cc2)cc1.CCNC(=O)C(c1ccccc1)N1CCN(c2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)CC1.O=C(Nc1ccc(N2CCN(C(C(=O)NCc3ccccn3)c3ccccc3)CC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1.O=C(Nc1ccc(N2CCN(C(C(=O)NCc3cccnc3)c3ccccc3)CC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]-2-(4-tert-butylphenyl)benzamide;N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is HVGOGRVXBFOFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H45N3O2.2C38H34F3N5O2.C35H33F3N4O2.C34H33F3N4O2/c1-43(2,3)35-20-18-32(19-21-35)38-16-10-11-17-39(38)41(47)45-36-22-24-37(25-23-36)46-28-26-34(27-29-46)40(33-14-8-5-9-15-33)42(48)44-30-31-12-6-4-7-13-31;39-38(40,41)29-15-13-27(14-16-29)33-11-4-5-12-34(33)36(47)44-30-17-19-32(20-18-30)45-22-24-46(25-23-45)35(28-8-2-1-3-9-28)37(48)43-26-31-10-6-7-21-42-31;39-38(40,41)30-14-12-28(13-15-30)33-10-4-5-11-34(33)36(47)44-31-16-18-32(19-17-31)45-21-23-46(24-22-45)35(29-8-2-1-3-9-29)37(48)43-26-27-7-6-20-42-25-27;1-2-20-39-34(44)32(26-8-4-3-5-9-26)42-23-21-41(22-24-42)29-18-16-28(17-19-29)40-33(43)31-11-7-6-10-30(31)25-12-14-27(15-13-25)35(36,37)38;1-2-38-33(43)31(25-8-4-3-5-9-25)41-22-20-40(21-23-41)28-18-16-27(17-19-28)39-32(42)30-11-7-6-10-29(30)24-12-14-26(15-13-24)34(35,36)37/h4-25,34,40H,26-30H2,1-3H3,(H,44,48)(H,45,47);1-21,35H,22-26H2,(H,43,48)(H,44,47);1-20,25,35H,21-24,26H2,(H,43,48)(H,44,47);2-19,32H,1,20-24H2,(H,39,44)(H,40,43);3-19,31H,2,20-23H2,1H3,(H,38,43)(H,39,42).
What are the key properties of N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]-2-(4-tert-butylphenyl)benzamide;N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide?
N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]-2-(4-tert-butylphenyl)benzamide;N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 3120.61 g/mol, XLogP of 37.03, 44 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(benzylamino)-2-oxo-1-phenylethyl]piperidin-1-yl]phenyl]-2-(4-tert-butylphenyl)benzamide;N-[4-[4-[2-(ethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;N-[4-[4-[2-oxo-1-phenyl-2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 158597924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).