1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide

C23H28ClFN2O — CID 94024563

About 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 94024563) has the molecular formula C23H28ClFN2O and a molecular weight of 402.94 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
• PubChem CID: 94024563
• Molecular Formula: C23H28ClFN2O
• Molecular Weight: 402.94 g/mol
• Exact Mass: 402.19
• IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
• SMILES: Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c(C)c1
• InChI: InChI=1S/C23H28ClFN2O/c1-15-7-8-19(16(2)13-15)17(3)26-23(28)18-9-11-27(12-10-18)14-20-21(24)5-4-6-22(20)25/h4-8,13,17-18H,9-12,14H2,1-3H3,(H,26,28)/t17-/m1/s1
• InChIKey: YJJTXJIECFNJQR-QGZVFWFLSA-N
• XLogP: 5.19
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.94
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide?

The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide (CID 94024563) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide is Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c(C)c1.

What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide?

The InChIKey is YJJTXJIECFNJQR-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28ClFN2O/c1-15-7-8-19(16(2)13-15)17(3)26-23(28)18-9-11-27(12-10-18)14-20-21(24)5-4-6-22(20)25/h4-8,13,17-18H,9-12,14H2,1-3H3,(H,26,28)/t17-/m1/s1.

What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide?

1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 402.94 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 94024563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).