N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

C23H31F3N4O2Si — CID 155632607

About N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 155632607) has the molecular formula C23H31F3N4O2Si and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
• PubChem CID: 155632607
• Molecular Formula: C23H31F3N4O2Si
• Molecular Weight: 480.61 g/mol
• Exact Mass: 480.22
• IUPAC Name: N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
• SMILES: CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1
• InChI: InChI=1S/C23H31F3N4O2Si/c1-22(2,3)33(4,5)32-19-9-7-18(8-10-19)28-21(31)30-14-12-29(13-15-30)20-11-6-17(16-27-20)23(24,25)26/h6-11,16H,12-15H2,1-5H3,(H,28,31)
• InChIKey: LKKDWBNXYOJDQV-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.61
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?

The IUPAC name of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 155632607) is N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

What is the SMILES notation for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?

The canonical SMILES for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is CC(C)(C)[Si](C)(C)Oc1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1.

What is the InChIKey of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?

The InChIKey is LKKDWBNXYOJDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N4O2Si/c1-22(2,3)33(4,5)32-19-9-7-18(8-10-19)28-21(31)30-14-12-29(13-15-30)20-11-6-17(16-27-20)23(24,25)26/h6-11,16H,12-15H2,1-5H3,(H,28,31).

What are the key properties of N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?

N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 155632607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).