2-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-4-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-4-(trifluoromethoxy)benzamide

C54H53ClF3N5O7 — CID 162223594

About 2-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-4-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-4-(trifluoromethoxy)benzamide

2-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-4-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-4-(trifluoromethoxy)benzamide (PubChem CID 162223594) has the molecular formula C54H53ClF3N5O7 and a molecular weight of 976.49 g/mol. Its IUPAC name is 2-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-4-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-4-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-4-(trifluoromethoxy)benzamide
• PubChem CID: 162223594
• Molecular Formula: C54H53ClF3N5O7
• Molecular Weight: 976.49 g/mol
• Exact Mass: 975.36
• IUPAC Name: 2-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-4-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-4-(trifluoromethoxy)benzamide
• SMILES: COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccc(OC(F)(F)F)cc4)c3)CC2)cc1.COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccnc(Cl)c4)c3)CC2)cc1
• InChI: InChI=1S/C28H27F3N2O4.C26H26ClN3O3/c1-18-3-4-22(17-25(18)32-26(34)21-7-11-24(12-8-21)37-28(29,30)31)27(35)33-15-13-20(14-16-33)19-5-9-23(36-2)10-6-19;1-17-3-4-21(15-23(17)29-25(31)20-9-12-28-24(27)16-20)26(32)30-13-10-19(11-14-30)18-5-7-22(33-2)8-6-18/h3-12,17,20H,13-16H2,1-2H3,(H,32,34);3-9,12,15-16,19H,10-11,13-14H2,1-2H3,(H,29,31)
• InChIKey: ZULNHOBOAKSHLK-UHFFFAOYSA-N
• XLogP: 11.50
• TPSA: 139.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	976.49
LogP ≤ 5	11.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-4-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-4-(trifluoromethoxy)benzamide?

The IUPAC name of 2-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-4-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-4-(trifluoromethoxy)benzamide (CID 162223594) is 2-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-4-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-4-(trifluoromethoxy)benzamide.

What is the SMILES notation for 2-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-4-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-4-(trifluoromethoxy)benzamide?

The canonical SMILES for 2-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-4-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-4-(trifluoromethoxy)benzamide is COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccc(OC(F)(F)F)cc4)c3)CC2)cc1.COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccnc(Cl)c4)c3)CC2)cc1.

What is the InChIKey of 2-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-4-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-4-(trifluoromethoxy)benzamide?

The InChIKey is ZULNHOBOAKSHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N2O4.C26H26ClN3O3/c1-18-3-4-22(17-25(18)32-26(34)21-7-11-24(12-8-21)37-28(29,30)31)27(35)33-15-13-20(14-16-33)19-5-9-23(36-2)10-6-19;1-17-3-4-21(15-23(17)29-25(31)20-9-12-28-24(27)16-20)26(32)30-13-10-19(11-14-30)18-5-7-22(33-2)8-6-18/h3-12,17,20H,13-16H2,1-2H3,(H,32,34);3-9,12,15-16,19H,10-11,13-14H2,1-2H3,(H,29,31).

What are the key properties of 2-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-4-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-4-(trifluoromethoxy)benzamide?

2-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-4-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 976.49 g/mol, XLogP of 11.50, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-4-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 162223594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).