N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-3-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide

C36H57N3O3Si — CID 59515972

About N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-3-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide

N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-3-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide (PubChem CID 59515972) has the molecular formula C36H57N3O3Si and a molecular weight of 607.96 g/mol. Its IUPAC name is N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-3-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-3-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide
• PubChem CID: 59515972
• Molecular Formula: C36H57N3O3Si
• Molecular Weight: 607.96 g/mol
• Exact Mass: 607.42
• IUPAC Name: N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-3-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide
• SMILES: CCC(C)C(NC(=O)C1CCCCN1C)C(=O)N(C)C(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C
• InChI: InChI=1S/C36H57N3O3Si/c1-10-28(4)33(37-34(40)32-23-17-18-25-38(32)8)35(41)39(9)31(27(2)3)24-26-42-43(36(5,6)7,29-19-13-11-14-20-29)30-21-15-12-16-22-30/h11-16,19-22,27-28,31-33H,10,17-18,23-26H2,1-9H3,(H,37,40)
• InChIKey: XYTZKPZFCSCGEG-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.96
LogP ≤ 5	5.45
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-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-3-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide?

The IUPAC name of N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-3-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide (CID 59515972) is N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-3-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide.

What is the SMILES notation for N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-3-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide?

The canonical SMILES for N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-3-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide is CCC(C)C(NC(=O)C1CCCCN1C)C(=O)N(C)C(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C.

What is the InChIKey of N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-3-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide?

The InChIKey is XYTZKPZFCSCGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H57N3O3Si/c1-10-28(4)33(37-34(40)32-23-17-18-25-38(32)8)35(41)39(9)31(27(2)3)24-26-42-43(36(5,6)7,29-19-13-11-14-20-29)30-21-15-12-16-22-30/h11-16,19-22,27-28,31-33H,10,17-18,23-26H2,1-9H3,(H,37,40).

What are the key properties of N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-3-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide?

N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-3-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide has a molecular weight of 607.96 g/mol, XLogP of 5.45, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-3-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 59515972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).