N-(2-amino-2-oxoethyl)-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-benzyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide

C130H148F12N12O6 — CID 91511223

IUPACN-(2-amino-2-oxoethyl)-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-benzyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide
SMILESCc1cc(CCC(=O)C(c2ccccc2)N2CCC(N(C(=O)c3ccccc3)c3ccccn3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCN(C)C(=O)C(c2ccccc2)N2CCC(c3ccccc3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCN(CC(N)=O)C(=O)C(c2ccccc2)N2CCC(N3CCCCC3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCN(Cc2ccccc2)C(=O)C(c2ccccc2)N2CCC(N3CCCCC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C35H34F3N3O2.C35H42F3N3O.C30H39F3N4O2.C30H33F3N2O/c1-25-22-26(24-29(23-25)35(36,37)38)15-16-31(42)33(27-10-4-2-5-11-27)40-20-17-30(18-21-40)41(32-14-8-9-19-39-32)34(43)28-12-6-3-7-13-28;1-27-23-29(25-31(24-27)35(36,37)38)15-20-41(26-28-11-5-2-6-12-28)34(42)33(30-13-7-3-8-14-30)40-21-16-32(17-22-40)39-18-9-4-10-19-39;1-22-18-23(20-25(19-22)30(31,32)33)10-15-37(21-27(34)38)29(39)28(24-8-4-2-5-9-24)36-16-11-26(12-17-36)35-13-6-3-7-14-35;1-22-19-23(21-27(20-22)30(31,32)33)13-16-34(2)29(36)28(26-11-7-4-8-12-26)35-17-14-25(15-18-35)24-9-5-3-6-10-24/h2-14,19,22-24,30,33H,15-18,20-21H2,1H3;2-3,5-8,11-14,23-25,32-33H,4,9-10,15-22,26H2,1H3;2,4-5,8-9,18-20,26,28H,3,6-7,10-17,21H2,1H3,(H2,34,38);3-12,19-21,25,28H,13-18H2,1-2H3
InChIKeySDGQXKJSAIVLIU-UHFFFAOYSA-N
MW2202.67 g/mol
LogP25.94
Rot. Bonds34

About N-(2-amino-2-oxoethyl)-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-benzyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide

N-(2-amino-2-oxoethyl)-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-benzyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide (PubChem CID 91511223) has the molecular formula C130H148F12N12O6 and a molecular weight of 2202.67 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-benzyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-benzyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide
PubChem CID91511223
Molecular FormulaC130H148F12N12O6
Molecular Weight2202.67 g/mol
Exact Mass2201.15
IUPAC NameN-(2-amino-2-oxoethyl)-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-benzyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide
SMILESCc1cc(CCC(=O)C(c2ccccc2)N2CCC(N(C(=O)c3ccccc3)c3ccccn3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCN(C)C(=O)C(c2ccccc2)N2CCC(c3ccccc3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCN(CC(N)=O)C(=O)C(c2ccccc2)N2CCC(N3CCCCC3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCN(Cc2ccccc2)C(=O)C(c2ccccc2)N2CCC(N3CCCCC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C35H34F3N3O2.C35H42F3N3O.C30H39F3N4O2.C30H33F3N2O/c1-25-22-26(24-29(23-25)35(36,37)38)15-16-31(42)33(27-10-4-2-5-11-27)40-20-17-30(18-21-40)41(32-14-8-9-19-39-32)34(43)28-12-6-3-7-13-28;1-27-23-29(25-31(24-27)35(36,37)38)15-20-41(26-28-11-5-2-6-12-28)34(42)33(30-13-7-3-8-14-30)40-21-16-32(17-22-40)39-18-9-4-10-19-39;1-22-18-23(20-25(19-22)30(31,32)33)10-15-37(21-27(34)38)29(39)28(24-8-4-2-5-9-24)36-16-11-26(12-17-36)35-13-6-3-7-14-35;1-22-19-23(21-27(20-22)30(31,32)33)13-16-34(2)29(36)28(26-11-7-4-8-12-26)35-17-14-25(15-18-35)24-9-5-3-6-10-24/h2-14,19,22-24,30,33H,15-18,20-21H2,1H3;2-3,5-8,11-14,23-25,32-33H,4,9-10,15-22,26H2,1H3;2,4-5,8-9,18-20,26,28H,3,6-7,10-17,21H2,1H3,(H2,34,38);3-12,19-21,25,28H,13-18H2,1-2H3
InChIKeySDGQXKJSAIVLIU-UHFFFAOYSA-N
XLogP25.94
TPSA173.73 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds34
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002202.67
LogP ≤ 525.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze N-(2-amino-2-oxoethyl)-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-benzyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide with MolForge

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Related Compounds

Netupitant; palonosetron
CID 78759283
N-[(S)-(butyl-methyl-carbamoyl)-phenyl-methyl]-6-[(4''-trifluoromethyl-biphenyl-2-carbonyl)-amino]-nicotinamide
CID 44411978
3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 71458712
N-[(1S)-2-[ethyl(propyl)amino]-2-oxo-1-phenylethyl]-6-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide
CID 44411594
N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-6-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide
CID 44411734
N-[(1S)-2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]-6-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide
CID 44411765
N-[(1S)-2-(benzylamino)-2-oxo-1-phenylethyl]-6-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyridine-3-carboxamide
CID 44411948
US9896452, Example 104
CID 89748277
US10233182, Example 188
CID 118425093
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone
CID 119098944
[2-(4-Methylpiperazin-1-yl)phenyl]-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098945
3-[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzamide
CID 119098952

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-benzyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-benzyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide (CID 91511223) is N-(2-amino-2-oxoethyl)-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-benzyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-benzyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-benzyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide is Cc1cc(CCC(=O)C(c2ccccc2)N2CCC(N(C(=O)c3ccccc3)c3ccccn3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCN(C)C(=O)C(c2ccccc2)N2CCC(c3ccccc3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCN(CC(N)=O)C(=O)C(c2ccccc2)N2CCC(N3CCCCC3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCN(Cc2ccccc2)C(=O)C(c2ccccc2)N2CCC(N3CCCCC3)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-benzyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide?
The InChIKey is SDGQXKJSAIVLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34F3N3O2.C35H42F3N3O.C30H39F3N4O2.C30H33F3N2O/c1-25-22-26(24-29(23-25)35(36,37)38)15-16-31(42)33(27-10-4-2-5-11-27)40-20-17-30(18-21-40)41(32-14-8-9-19-39-32)34(43)28-12-6-3-7-13-28;1-27-23-29(25-31(24-27)35(36,37)38)15-20-41(26-28-11-5-2-6-12-28)34(42)33(30-13-7-3-8-14-30)40-21-16-32(17-22-40)39-18-9-4-10-19-39;1-22-18-23(20-25(19-22)30(31,32)33)10-15-37(21-27(34)38)29(39)28(24-8-4-2-5-9-24)36-16-11-26(12-17-36)35-13-6-3-7-14-35;1-22-19-23(21-27(20-22)30(31,32)33)13-16-34(2)29(36)28(26-11-7-4-8-12-26)35-17-14-25(15-18-35)24-9-5-3-6-10-24/h2-14,19,22-24,30,33H,15-18,20-21H2,1H3;2-3,5-8,11-14,23-25,32-33H,4,9-10,15-22,26H2,1H3;2,4-5,8-9,18-20,26,28H,3,6-7,10-17,21H2,1H3,(H2,34,38);3-12,19-21,25,28H,13-18H2,1-2H3.
What are the key properties of N-(2-amino-2-oxoethyl)-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-benzyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide?
N-(2-amino-2-oxoethyl)-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-benzyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide has a molecular weight of 2202.67 g/mol, XLogP of 25.94, 34 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-benzyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 91511223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).