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

C156H178F15N13O8 — CID 91005618

IUPAC2-[4-[acetyl(cyclohexyl)amino]piperidin-1-yl]-N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]benzamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide
SMILESCC(=O)N(C1CCCCC1)C1CCN(C(C(=O)N(C)CCc2cc(C)cc(C(F)(F)F)c2)c2ccccc2)CC1.Cc1cc(CCC(=O)C(c2ccccc2)N2CCC(N(C(=O)c3ccccc3)c3ccccn3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCC(=O)C(c2ccccc2)N2CCC(NC(=O)c3ccccc3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCN(C)C(=O)C(c2ccccc2)N2CCC(C3CCNCC3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCN(C)C(=O)C(c2ccccc2)N2CCC(c3ccccc3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C35H34F3N3O2.C32H42F3N3O2.C30H31F3N2O2.C30H33F3N2O.C29H38F3N3O/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;1-23-20-25(22-27(21-23)32(33,34)35)14-17-36(3)31(40)30(26-10-6-4-7-11-26)37-18-15-29(16-19-37)38(24(2)39)28-12-8-5-9-13-28;1-21-18-22(20-25(19-21)30(31,32)33)12-13-27(36)28(23-8-4-2-5-9-23)35-16-14-26(15-17-35)34-29(37)24-10-6-3-7-11-24;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;1-21-18-22(20-26(19-21)29(30,31)32)10-15-34(2)28(36)27(25-6-4-3-5-7-25)35-16-11-24(12-17-35)23-8-13-33-14-9-23/h2-14,19,22-24,30,33H,15-18,20-21H2,1H3;4,6-7,10-11,20-22,28-30H,5,8-9,12-19H2,1-3H3;2-11,18-20,26,28H,12-17H2,1H3,(H,34,37);3-12,19-21,25,28H,13-18H2,1-2H3;3-7,18-20,23-24,27,33H,8-17H2,1-2H3
InChIKeyPEWUZVMLNHPBCY-UHFFFAOYSA-N
MW2648.19 g/mol
LogP32.12
Rot. Bonds39

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

2-[4-[acetyl(cyclohexyl)amino]piperidin-1-yl]-N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]benzamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide (PubChem CID 91005618) has the molecular formula C156H178F15N13O8 and a molecular weight of 2648.19 g/mol. Its IUPAC name is 2-[4-[acetyl(cyclohexyl)amino]piperidin-1-yl]-N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]benzamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-[4-[acetyl(cyclohexyl)amino]piperidin-1-yl]-N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]benzamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide
PubChem CID91005618
Molecular FormulaC156H178F15N13O8
Molecular Weight2648.19 g/mol
Exact Mass2646.37
IUPAC Name2-[4-[acetyl(cyclohexyl)amino]piperidin-1-yl]-N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]benzamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide
SMILESCC(=O)N(C1CCCCC1)C1CCN(C(C(=O)N(C)CCc2cc(C)cc(C(F)(F)F)c2)c2ccccc2)CC1.Cc1cc(CCC(=O)C(c2ccccc2)N2CCC(N(C(=O)c3ccccc3)c3ccccn3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCC(=O)C(c2ccccc2)N2CCC(NC(=O)c3ccccc3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCN(C)C(=O)C(c2ccccc2)N2CCC(C3CCNCC3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCN(C)C(=O)C(c2ccccc2)N2CCC(c3ccccc3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C35H34F3N3O2.C32H42F3N3O2.C30H31F3N2O2.C30H33F3N2O.C29H38F3N3O/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;1-23-20-25(22-27(21-23)32(33,34)35)14-17-36(3)31(40)30(26-10-6-4-7-11-26)37-18-15-29(16-19-37)38(24(2)39)28-12-8-5-9-13-28;1-21-18-22(20-25(19-21)30(31,32)33)12-13-27(36)28(23-8-4-2-5-9-23)35-16-14-26(15-17-35)34-29(37)24-10-6-3-7-11-24;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;1-21-18-22(20-26(19-21)29(30,31)32)10-15-34(2)28(36)27(25-6-4-3-5-7-25)35-16-11-24(12-17-35)23-8-13-33-14-9-23/h2-14,19,22-24,30,33H,15-18,20-21H2,1H3;4,6-7,10-11,20-22,28-30H,5,8-9,12-19H2,1-3H3;2-11,18-20,26,28H,12-17H2,1H3,(H,34,37);3-12,19-21,25,28H,13-18H2,1-2H3;3-7,18-20,23-24,27,33H,8-17H2,1-2H3
InChIKeyPEWUZVMLNHPBCY-UHFFFAOYSA-N
XLogP32.12
TPSA205.91 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds39
Heavy Atoms192
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002648.19
LogP ≤ 532.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 2-[4-[acetyl(cyclohexyl)amino]piperidin-1-yl]-N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]benzamide;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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[acetyl(cyclohexyl)amino]piperidin-1-yl]-N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]benzamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 2-[4-[acetyl(cyclohexyl)amino]piperidin-1-yl]-N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]benzamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide (CID 91005618) is 2-[4-[acetyl(cyclohexyl)amino]piperidin-1-yl]-N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]benzamide;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 2-[4-[acetyl(cyclohexyl)amino]piperidin-1-yl]-N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]benzamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 2-[4-[acetyl(cyclohexyl)amino]piperidin-1-yl]-N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]benzamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide is CC(=O)N(C1CCCCC1)C1CCN(C(C(=O)N(C)CCc2cc(C)cc(C(F)(F)F)c2)c2ccccc2)CC1.Cc1cc(CCC(=O)C(c2ccccc2)N2CCC(N(C(=O)c3ccccc3)c3ccccn3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCC(=O)C(c2ccccc2)N2CCC(NC(=O)c3ccccc3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCN(C)C(=O)C(c2ccccc2)N2CCC(C3CCNCC3)CC2)cc(C(F)(F)F)c1.Cc1cc(CCN(C)C(=O)C(c2ccccc2)N2CCC(c3ccccc3)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[acetyl(cyclohexyl)amino]piperidin-1-yl]-N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]benzamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide?
The InChIKey is PEWUZVMLNHPBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34F3N3O2.C32H42F3N3O2.C30H31F3N2O2.C30H33F3N2O.C29H38F3N3O/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;1-23-20-25(22-27(21-23)32(33,34)35)14-17-36(3)31(40)30(26-10-6-4-7-11-26)37-18-15-29(16-19-37)38(24(2)39)28-12-8-5-9-13-28;1-21-18-22(20-25(19-21)30(31,32)33)12-13-27(36)28(23-8-4-2-5-9-23)35-16-14-26(15-17-35)34-29(37)24-10-6-3-7-11-24;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;1-21-18-22(20-26(19-21)29(30,31)32)10-15-34(2)28(36)27(25-6-4-3-5-7-25)35-16-11-24(12-17-35)23-8-13-33-14-9-23/h2-14,19,22-24,30,33H,15-18,20-21H2,1H3;4,6-7,10-11,20-22,28-30H,5,8-9,12-19H2,1-3H3;2-11,18-20,26,28H,12-17H2,1H3,(H,34,37);3-12,19-21,25,28H,13-18H2,1-2H3;3-7,18-20,23-24,27,33H,8-17H2,1-2H3.
What are the key properties of 2-[4-[acetyl(cyclohexyl)amino]piperidin-1-yl]-N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]benzamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide?
2-[4-[acetyl(cyclohexyl)amino]piperidin-1-yl]-N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]benzamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide has a molecular weight of 2648.19 g/mol, XLogP of 32.12, 39 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[acetyl(cyclohexyl)amino]piperidin-1-yl]-N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]benzamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 91005618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).