1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-4-carboxamide

C23H27ClF3N3O — CID 55877040

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-4-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 55877040) has the molecular formula C23H27ClF3N3O and a molecular weight of 453.94 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-4-carboxamide
• PubChem CID: 55877040
• Molecular Formula: C23H27ClF3N3O
• Molecular Weight: 453.94 g/mol
• Exact Mass: 453.18
• IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-4-carboxamide
• SMILES: Cc1cc(C)c(CCNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(C)c1
• InChI: InChI=1S/C23H27ClF3N3O/c1-14-10-15(2)19(16(3)11-14)4-7-28-22(31)17-5-8-30(9-6-17)21-20(24)12-18(13-29-21)23(25,26)27/h10-13,17H,4-9H2,1-3H3,(H,28,31)
• InChIKey: MLVVGJTYDNLSOG-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.94
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-4-carboxamide?

The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-4-carboxamide (CID 55877040) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-4-carboxamide is Cc1cc(C)c(CCNC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(C)c1.

What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-4-carboxamide?

The InChIKey is MLVVGJTYDNLSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClF3N3O/c1-14-10-15(2)19(16(3)11-14)4-7-28-22(31)17-5-8-30(9-6-17)21-20(24)12-18(13-29-21)23(25,26)27/h10-13,17H,4-9H2,1-3H3,(H,28,31).

What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-4-carboxamide?

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 453.94 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55877040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).