tert-butyl (2S,4S)-4-amino-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate

C30H45N3O4Si — CID 169079961

IUPACtert-butyl (2S,4S)-4-amino-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N)C[C@H]1C(=O)NCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H45N3O4Si/c1-29(2,3)37-28(35)33-20-18-23(31)22-26(33)27(34)32-19-13-21-36-38(30(4,5)6,24-14-9-7-10-15-24)25-16-11-8-12-17-25/h7-12,14-17,23,26H,13,18-22,31H2,1-6H3,(H,32,34)/t23-,26-/m0/s1
InChIKeyNBMXCODTKOJMQL-OZXSUGGESA-N
MW539.79 g/mol
LogP3.80
Rot. Bonds8

About tert-butyl (2S,4S)-4-amino-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate

tert-butyl (2S,4S)-4-amino-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate (PubChem CID 169079961) has the molecular formula C30H45N3O4Si and a molecular weight of 539.79 g/mol. Its IUPAC name is tert-butyl (2S,4S)-4-amino-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-4-amino-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate
PubChem CID169079961
Molecular FormulaC30H45N3O4Si
Molecular Weight539.79 g/mol
Exact Mass539.32
IUPAC Nametert-butyl (2S,4S)-4-amino-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N)C[C@H]1C(=O)NCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H45N3O4Si/c1-29(2,3)37-28(35)33-20-18-23(31)22-26(33)27(34)32-19-13-21-36-38(30(4,5)6,24-14-9-7-10-15-24)25-16-11-8-12-17-25/h7-12,14-17,23,26H,13,18-22,31H2,1-6H3,(H,32,34)/t23-,26-/m0/s1
InChIKeyNBMXCODTKOJMQL-OZXSUGGESA-N
XLogP3.80
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.79
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-4-amino-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-4-amino-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate (CID 169079961) is tert-butyl (2S,4S)-4-amino-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-4-amino-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-4-amino-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](N)C[C@H]1C(=O)NCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,4S)-4-amino-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is NBMXCODTKOJMQL-OZXSUGGESA-N. The full InChI is InChI=1S/C30H45N3O4Si/c1-29(2,3)37-28(35)33-20-18-23(31)22-26(33)27(34)32-19-13-21-36-38(30(4,5)6,24-14-9-7-10-15-24)25-16-11-8-12-17-25/h7-12,14-17,23,26H,13,18-22,31H2,1-6H3,(H,32,34)/t23-,26-/m0/s1.
What are the key properties of tert-butyl (2S,4S)-4-amino-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate?
tert-butyl (2S,4S)-4-amino-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 539.79 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-4-amino-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 169079961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).