3-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide

C27H27F2N3O3 — CID 46334037

About 3-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide

3-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide (PubChem CID 46334037) has the molecular formula C27H27F2N3O3 and a molecular weight of 479.53 g/mol. Its IUPAC name is 3-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 3-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
• PubChem CID: 46334037
• Molecular Formula: C27H27F2N3O3
• Molecular Weight: 479.53 g/mol
• Exact Mass: 479.20
• IUPAC Name: 3-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
• SMILES: CCOc1ccc(NC(=O)N2CCCC(c3cccc(C(=O)Nc4ccc(F)cc4F)c3)C2)cc1
• InChI: InChI=1S/C27H27F2N3O3/c1-2-35-23-11-9-22(10-12-23)30-27(34)32-14-4-7-20(17-32)18-5-3-6-19(15-18)26(33)31-25-13-8-21(28)16-24(25)29/h3,5-6,8-13,15-16,20H,2,4,7,14,17H2,1H3,(H,30,34)(H,31,33)
• InChIKey: VIWUDBZNZMMUSA-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.53
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide?

The IUPAC name of 3-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide (CID 46334037) is 3-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide.

What is the SMILES notation for 3-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide?

The canonical SMILES for 3-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCCC(c3cccc(C(=O)Nc4ccc(F)cc4F)c3)C2)cc1.

What is the InChIKey of 3-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide?

The InChIKey is VIWUDBZNZMMUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N3O3/c1-2-35-23-11-9-22(10-12-23)30-27(34)32-14-4-7-20(17-32)18-5-3-6-19(15-18)26(33)31-25-13-8-21(28)16-24(25)29/h3,5-6,8-13,15-16,20H,2,4,7,14,17H2,1H3,(H,30,34)(H,31,33).

What are the key properties of 3-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide?

3-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 479.53 g/mol, XLogP of 6.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 46334037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).