N-(1-methylpiperidin-4-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide;bis(2,2,2-trifluoroacetic acid)

C33H40F6N4O6 — CID 171930595

About N-(1-methylpiperidin-4-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide;bis(2,2,2-trifluoroacetic acid)

N-(1-methylpiperidin-4-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171930595) has the molecular formula C33H40F6N4O6 and a molecular weight of 702.69 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N-(1-methylpiperidin-4-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 171930595
• Molecular Formula: C33H40F6N4O6
• Molecular Weight: 702.69 g/mol
• Exact Mass: 702.29
• IUPAC Name: N-(1-methylpiperidin-4-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: CCC(=O)CCCCCC(C(=O)NC1CCN(C)CC1)c1ncc(-c2ccc3ccccc3c2)[nH]1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C29H38N4O2.2C2HF3O2/c1-3-25(34)11-5-4-6-12-26(29(35)31-24-15-17-33(2)18-16-24)28-30-20-27(32-28)23-14-13-21-9-7-8-10-22(21)19-23;2*3-2(4,5)1(6)7/h7-10,13-14,19-20,24,26H,3-6,11-12,15-18H2,1-2H3,(H,30,32)(H,31,35);2*(H,6,7)
• InChIKey: STDMQHCLRNQOFK-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 152.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.69
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of N-(1-methylpiperidin-4-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide;bis(2,2,2-trifluoroacetic acid) (CID 171930595) is N-(1-methylpiperidin-4-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for N-(1-methylpiperidin-4-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for N-(1-methylpiperidin-4-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide;bis(2,2,2-trifluoroacetic acid) is CCC(=O)CCCCCC(C(=O)NC1CCN(C)CC1)c1ncc(-c2ccc3ccccc3c2)[nH]1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N-(1-methylpiperidin-4-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is STDMQHCLRNQOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O2.2C2HF3O2/c1-3-25(34)11-5-4-6-12-26(29(35)31-24-15-17-33(2)18-16-24)28-30-20-27(32-28)23-14-13-21-9-7-8-10-22(21)19-23;2*3-2(4,5)1(6)7/h7-10,13-14,19-20,24,26H,3-6,11-12,15-18H2,1-2H3,(H,30,32)(H,31,35);2*(H,6,7).

What are the key properties of N-(1-methylpiperidin-4-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide;bis(2,2,2-trifluoroacetic acid)?

N-(1-methylpiperidin-4-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 702.69 g/mol, XLogP of 6.72, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-methylpiperidin-4-yl)-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-8-oxodecanamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171930595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).