N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide

C28H32FN3O2 — CID 59000643

About N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide

N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide (PubChem CID 59000643) has the molecular formula C28H32FN3O2 and a molecular weight of 461.58 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide
• PubChem CID: 59000643
• Molecular Formula: C28H32FN3O2
• Molecular Weight: 461.58 g/mol
• Exact Mass: 461.25
• IUPAC Name: N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide
• SMILES: O=C(Cc1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cn1)NCc1cccc(F)c1
• InChI: InChI=1S/C28H32FN3O2/c29-25-7-4-6-22(18-25)20-31-28(33)19-26-11-8-24(21-30-26)23-9-12-27(13-10-23)34-17-5-16-32-14-2-1-3-15-32/h4,6-13,18,21H,1-3,5,14-17,19-20H2,(H,31,33)
• InChIKey: LFLNEWVHWPALHN-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.58
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide?

The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide (CID 59000643) is N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide is O=C(Cc1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cn1)NCc1cccc(F)c1.

What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide?

The InChIKey is LFLNEWVHWPALHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O2/c29-25-7-4-6-22(18-25)20-31-28(33)19-26-11-8-24(21-30-26)23-9-12-27(13-10-23)34-17-5-16-32-14-2-1-3-15-32/h4,6-13,18,21H,1-3,5,14-17,19-20H2,(H,31,33).

What are the key properties of N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide?

N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide has a molecular weight of 461.58 g/mol, XLogP of 5.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 59000643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).