propan-2-yl 2-[4-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methyl]piperazin-1-yl]pyridine-3-carboxylate

C26H40N4O3Si — CID 71223832

About propan-2-yl 2-[4-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methyl]piperazin-1-yl]pyridine-3-carboxylate

propan-2-yl 2-[4-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methyl]piperazin-1-yl]pyridine-3-carboxylate (PubChem CID 71223832) has the molecular formula C26H40N4O3Si and a molecular weight of 484.72 g/mol. Its IUPAC name is propan-2-yl 2-[4-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methyl]piperazin-1-yl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl 2-[4-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methyl]piperazin-1-yl]pyridine-3-carboxylate
• PubChem CID: 71223832
• Molecular Formula: C26H40N4O3Si
• Molecular Weight: 484.72 g/mol
• Exact Mass: 484.29
• IUPAC Name: propan-2-yl 2-[4-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methyl]piperazin-1-yl]pyridine-3-carboxylate
• SMILES: CC(C)OC(=O)c1cccnc1N1CCN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cn2)CC1
• InChI: InChI=1S/C26H40N4O3Si/c1-20(2)33-25(31)23-9-8-12-27-24(23)30-15-13-29(14-16-30)18-22-11-10-21(17-28-22)19-32-34(6,7)26(3,4)5/h8-12,17,20H,13-16,18-19H2,1-7H3
• InChIKey: WTKQFIWMMFTARR-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 67.79 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.72
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methyl]piperazin-1-yl]pyridine-3-carboxylate?

The IUPAC name of propan-2-yl 2-[4-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methyl]piperazin-1-yl]pyridine-3-carboxylate (CID 71223832) is propan-2-yl 2-[4-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methyl]piperazin-1-yl]pyridine-3-carboxylate.

What is the SMILES notation for propan-2-yl 2-[4-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methyl]piperazin-1-yl]pyridine-3-carboxylate?

The canonical SMILES for propan-2-yl 2-[4-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methyl]piperazin-1-yl]pyridine-3-carboxylate is CC(C)OC(=O)c1cccnc1N1CCN(Cc2ccc(CO[Si](C)(C)C(C)(C)C)cn2)CC1.

What is the InChIKey of propan-2-yl 2-[4-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methyl]piperazin-1-yl]pyridine-3-carboxylate?

The InChIKey is WTKQFIWMMFTARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O3Si/c1-20(2)33-25(31)23-9-8-12-27-24(23)30-15-13-29(14-16-30)18-22-11-10-21(17-28-22)19-32-34(6,7)26(3,4)5/h8-12,17,20H,13-16,18-19H2,1-7H3.

What are the key properties of propan-2-yl 2-[4-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methyl]piperazin-1-yl]pyridine-3-carboxylate?

propan-2-yl 2-[4-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methyl]piperazin-1-yl]pyridine-3-carboxylate has a molecular weight of 484.72 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 2-[4-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]methyl]piperazin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 71223832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).