3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;4-ethynyl-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C61H66Cl2F3N7O4 — CID 157195886

About 3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;4-ethynyl-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;4-ethynyl-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 157195886) has the molecular formula C61H66Cl2F3N7O4 and a molecular weight of 1089.14 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;4-ethynyl-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;4-ethynyl-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
• PubChem CID: 157195886
• Molecular Formula: C61H66Cl2F3N7O4
• Molecular Weight: 1089.14 g/mol
• Exact Mass: 1087.45
• IUPAC Name: 3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;4-ethynyl-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
• SMILES: C#Cc1ccc(C(=O)Nc2ccc(CCC3CCCCN3)cc2)cc1.O=C(Nc1ccc(C2CCCNC2)cc1)c1ccc(OCC(F)(F)F)nc1.O=C(Nc1ccc(CCC2CCCCN2)cc1)c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C22H24N2O.C20H22Cl2N2O.C19H20F3N3O2/c1-2-17-6-11-19(12-7-17)22(25)24-21-14-9-18(10-15-21)8-13-20-5-3-4-16-23-20;21-18-11-7-15(13-19(18)22)20(25)24-17-9-5-14(6-10-17)4-8-16-3-1-2-12-23-16;20-19(21,22)12-27-17-8-5-15(11-24-17)18(26)25-16-6-3-13(4-7-16)14-2-1-9-23-10-14/h1,6-7,9-12,14-15,20,23H,3-5,8,13,16H2,(H,24,25);5-7,9-11,13,16,23H,1-4,8,12H2,(H,24,25);3-8,11,14,23H,1-2,9-10,12H2,(H,25,26)
• InChIKey: AQGANDKPAFUXLX-UHFFFAOYSA-N
• XLogP: 13.06
• TPSA: 145.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1089.14
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;4-ethynyl-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The IUPAC name of 3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;4-ethynyl-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 157195886) is 3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;4-ethynyl-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

What is the SMILES notation for 3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;4-ethynyl-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The canonical SMILES for 3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;4-ethynyl-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is C#Cc1ccc(C(=O)Nc2ccc(CCC3CCCCN3)cc2)cc1.O=C(Nc1ccc(C2CCCNC2)cc1)c1ccc(OCC(F)(F)F)nc1.O=C(Nc1ccc(CCC2CCCCN2)cc1)c1ccc(Cl)c(Cl)c1.

What is the InChIKey of 3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;4-ethynyl-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The InChIKey is AQGANDKPAFUXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O.C20H22Cl2N2O.C19H20F3N3O2/c1-2-17-6-11-19(12-7-17)22(25)24-21-14-9-18(10-15-21)8-13-20-5-3-4-16-23-20;21-18-11-7-15(13-19(18)22)20(25)24-17-9-5-14(6-10-17)4-8-16-3-1-2-12-23-16;20-19(21,22)12-27-17-8-5-15(11-24-17)18(26)25-16-6-3-13(4-7-16)14-2-1-9-23-10-14/h1,6-7,9-12,14-15,20,23H,3-5,8,13,16H2,(H,24,25);5-7,9-11,13,16,23H,1-4,8,12H2,(H,24,25);3-8,11,14,23H,1-2,9-10,12H2,(H,25,26).

What are the key properties of 3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;4-ethynyl-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;4-ethynyl-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 1089.14 g/mol, XLogP of 13.06, 15 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dichloro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;4-ethynyl-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 157195886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).