N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-naphthalen-1-ylacetamide

C32H35FN4O — CID 43956967

About N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-naphthalen-1-ylacetamide

N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-naphthalen-1-ylacetamide (PubChem CID 43956967) has the molecular formula C32H35FN4O and a molecular weight of 510.66 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

• Compound Name: N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-naphthalen-1-ylacetamide
• PubChem CID: 43956967
• Molecular Formula: C32H35FN4O
• Molecular Weight: 510.66 g/mol
• Exact Mass: 510.28
• IUPAC Name: N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-naphthalen-1-ylacetamide
• SMILES: CN(C)c1ccc(C(CNC(=O)Cc2cccc3ccccc23)N2CCN(c3ccc(F)cc3)CC2)cc1
• InChI: InChI=1S/C32H35FN4O/c1-35(2)28-14-10-25(11-15-28)31(37-20-18-36(19-21-37)29-16-12-27(33)13-17-29)23-34-32(38)22-26-8-5-7-24-6-3-4-9-30(24)26/h3-17,31H,18-23H2,1-2H3,(H,34,38)
• InChIKey: YERBWKRVVVHFLU-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 38.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.66
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-naphthalen-1-ylacetamide?

The IUPAC name of N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-naphthalen-1-ylacetamide (CID 43956967) is N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-naphthalen-1-ylacetamide.

What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-naphthalen-1-ylacetamide?

The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-naphthalen-1-ylacetamide is CN(C)c1ccc(C(CNC(=O)Cc2cccc3ccccc23)N2CCN(c3ccc(F)cc3)CC2)cc1.

What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-naphthalen-1-ylacetamide?

The InChIKey is YERBWKRVVVHFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN4O/c1-35(2)28-14-10-25(11-15-28)31(37-20-18-36(19-21-37)29-16-12-27(33)13-17-29)23-34-32(38)22-26-8-5-7-24-6-3-4-9-30(24)26/h3-17,31H,18-23H2,1-2H3,(H,34,38).

What are the key properties of N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-naphthalen-1-ylacetamide?

N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 510.66 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 43956967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).