tert-butyl 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylate

C30H41N3O4Si — CID 68567938

IUPACtert-butyl 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[nH]c2=O)CC1
InChIInChI=1S/C30H41N3O4Si/c1-29(2,3)37-28(35)32-19-17-24(18-20-32)33-21-23(31-27(33)34)22-36-38(30(4,5)6,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-16,21,24H,17-20,22H2,1-6H3,(H,31,34)
InChIKeyLQDHSGIAFXPTNI-UHFFFAOYSA-N
MW535.76 g/mol
LogP4.82
Rot. Bonds6

About tert-butyl 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylate

tert-butyl 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylate (PubChem CID 68567938) has the molecular formula C30H41N3O4Si and a molecular weight of 535.76 g/mol. Its IUPAC name is tert-butyl 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylate
PubChem CID68567938
Molecular FormulaC30H41N3O4Si
Molecular Weight535.76 g/mol
Exact Mass535.29
IUPAC Nametert-butyl 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[nH]c2=O)CC1
InChIInChI=1S/C30H41N3O4Si/c1-29(2,3)37-28(35)32-19-17-24(18-20-32)33-21-23(31-27(33)34)22-36-38(30(4,5)6,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-16,21,24H,17-20,22H2,1-6H3,(H,31,34)
InChIKeyLQDHSGIAFXPTNI-UHFFFAOYSA-N
XLogP4.82
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.76
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidene-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 11527005
4-[[1-[Tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylic acid
CID 68567946
tert-Butyl 4-[({[2-{[tert-butyl(diphenyl)silyl]oxy}-1-(hydroxymethyl)ethyl]amino}carbonyl)amino]piperidine-1-carboxylate
CID 68568228
4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylic acid
CID 68568479
tert-butyl 4-[[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoylamino]piperidine-1-carboxylate
CID 68568947
Methyl N-({[1-(tert-butoxycarbonyl)piperidin-4-yl]amino}carbonyl)-O-[tert-butyl(diphenyl)silyl]serine
CID 68568949
N-({[1-(tert-butoxycarbonyl)piperidin-4-yl]amino}carbonyl)-O-[tert-butyl(diphenyl)silyl]serine
CID 68825752
3-[Tert-butyl(diphenyl)silyl]oxy-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]propanoic acid
CID 69055967
Tert-butyl 4-amino-3-[tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylate
CID 145367521
tert-butyl (2R,4R)-4-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-1-carboxylate
CID 168763132
tert-butyl (2S,4S)-4-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-1-carboxylate
CID 168763245
tert-butyl N-[3-[[(Z)-3-[tert-butyl(diphenyl)silyl]oxy-1-isocyanoprop-1-en-2-yl]amino]propyl]-N-methylcarbamate
CID 176724595

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylate (CID 68567938) is tert-butyl 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cc(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[nH]c2=O)CC1.
What is the InChIKey of tert-butyl 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylate?
The InChIKey is LQDHSGIAFXPTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O4Si/c1-29(2,3)37-28(35)32-19-17-24(18-20-32)33-21-23(31-27(33)34)22-36-38(30(4,5)6,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-16,21,24H,17-20,22H2,1-6H3,(H,31,34).
What are the key properties of tert-butyl 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylate has a molecular weight of 535.76 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 68567938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).