tert-butyl 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylate

C30H45N3O5Si — CID 68568228

IUPACtert-butyl 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)NC(CO)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C30H45N3O5Si/c1-29(2,3)38-28(36)33-19-17-23(18-20-33)31-27(35)32-24(21-34)22-37-39(30(4,5)6,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-16,23-24,34H,17-22H2,1-6H3,(H2,31,32,35)
InChIKeyZVDARUFDYYBYND-UHFFFAOYSA-N
MW555.79 g/mol
LogP3.62
Rot. Bonds8

About tert-butyl 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylate

tert-butyl 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylate (PubChem CID 68568228) has the molecular formula C30H45N3O5Si and a molecular weight of 555.79 g/mol. Its IUPAC name is tert-butyl 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylate
PubChem CID68568228
Molecular FormulaC30H45N3O5Si
Molecular Weight555.79 g/mol
Exact Mass555.31
IUPAC Nametert-butyl 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)NC(CO)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C30H45N3O5Si/c1-29(2,3)38-28(36)33-19-17-23(18-20-33)31-27(35)32-24(21-34)22-37-39(30(4,5)6,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-16,23-24,34H,17-22H2,1-6H3,(H2,31,32,35)
InChIKeyZVDARUFDYYBYND-UHFFFAOYSA-N
XLogP3.62
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.79
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (R)-(1-((tert-butyldiphenylsilyl)oxy)-3-hydroxypropan-2-yl)carbamate
CID 10960965
tert-butyl N-[(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypent-4-en-2-yl]carbamate
CID 44220524
tert-butyl N-[(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypent-4-en-2-yl]carbamate
CID 134840170
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate
CID 11431341
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate
CID 11258945
2-(t-Butoxycarbonylamino)-3-(t-butyldiphenylsiloxy)propanol
CID 22710503
tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]piperazine-1-carboxylate
CID 59465678
tert-Butyl 4-[4-({[tert-butyl(diphenyl)silyl]oxy}methyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]piperidine-1-carboxylate
CID 68567938
4-[[1-[Tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylic acid
CID 68567946
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylate (CID 68568228) is tert-butyl 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)NC(CO)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylate?
The InChIKey is ZVDARUFDYYBYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N3O5Si/c1-29(2,3)38-28(36)33-19-17-23(18-20-33)31-27(35)32-24(21-34)22-37-39(30(4,5)6,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-16,23-24,34H,17-22H2,1-6H3,(H2,31,32,35).
What are the key properties of tert-butyl 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylate?
tert-butyl 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylate has a molecular weight of 555.79 g/mol, XLogP of 3.62, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 68568228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).