1-[2-(difluoromethoxy)benzoyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]piperidine-3-carboxamide

C23H25F2N3O5 — CID 55637973

About 1-[2-(difluoromethoxy)benzoyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]piperidine-3-carboxamide

1-[2-(difluoromethoxy)benzoyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]piperidine-3-carboxamide (PubChem CID 55637973) has the molecular formula C23H25F2N3O5 and a molecular weight of 461.47 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)benzoyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(difluoromethoxy)benzoyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]piperidine-3-carboxamide
• PubChem CID: 55637973
• Molecular Formula: C23H25F2N3O5
• Molecular Weight: 461.47 g/mol
• Exact Mass: 461.18
• IUPAC Name: 1-[2-(difluoromethoxy)benzoyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]piperidine-3-carboxamide
• SMILES: COCC(=O)Nc1ccc(NC(=O)C2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc1
• InChI: InChI=1S/C23H25F2N3O5/c1-32-14-20(29)26-16-8-10-17(11-9-16)27-21(30)15-5-4-12-28(13-15)22(31)18-6-2-3-7-19(18)33-23(24)25/h2-3,6-11,15,23H,4-5,12-14H2,1H3,(H,26,29)(H,27,30)
• InChIKey: BOEDLPVZVQZBOO-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.47
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]piperidine-3-carboxamide?

The IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]piperidine-3-carboxamide (CID 55637973) is 1-[2-(difluoromethoxy)benzoyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[2-(difluoromethoxy)benzoyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[2-(difluoromethoxy)benzoyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]piperidine-3-carboxamide is COCC(=O)Nc1ccc(NC(=O)C2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc1.

What is the InChIKey of 1-[2-(difluoromethoxy)benzoyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]piperidine-3-carboxamide?

The InChIKey is BOEDLPVZVQZBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O5/c1-32-14-20(29)26-16-8-10-17(11-9-16)27-21(30)15-5-4-12-28(13-15)22(31)18-6-2-3-7-19(18)33-23(24)25/h2-3,6-11,15,23H,4-5,12-14H2,1H3,(H,26,29)(H,27,30).

What are the key properties of 1-[2-(difluoromethoxy)benzoyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]piperidine-3-carboxamide?

1-[2-(difluoromethoxy)benzoyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]piperidine-3-carboxamide has a molecular weight of 461.47 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(difluoromethoxy)benzoyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 55637973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).