dibenzyl 5-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]piperidine-1,3-dicarboxylate

C31H45NO5Si — CID 177236675

IUPACdibenzyl 5-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]piperidine-1,3-dicarboxylate
SMILESCC(C)(CO[Si](C)(C)C(C)(C)C)C1CC(C(=O)OCc2ccccc2)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C31H45NO5Si/c1-30(2,3)38(6,7)37-23-31(4,5)27-18-26(28(33)35-21-24-14-10-8-11-15-24)19-32(20-27)29(34)36-22-25-16-12-9-13-17-25/h8-17,26-27H,18-23H2,1-7H3
InChIKeyQCNFXTWZXGRHPU-UHFFFAOYSA-N
MW539.79 g/mol
LogP7.05
Rot. Bonds9

About dibenzyl 5-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]piperidine-1,3-dicarboxylate

dibenzyl 5-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]piperidine-1,3-dicarboxylate (PubChem CID 177236675) has the molecular formula C31H45NO5Si and a molecular weight of 539.79 g/mol. Its IUPAC name is dibenzyl 5-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]piperidine-1,3-dicarboxylate.

Molecular Properties

Compound Namedibenzyl 5-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]piperidine-1,3-dicarboxylate
PubChem CID177236675
Molecular FormulaC31H45NO5Si
Molecular Weight539.79 g/mol
Exact Mass539.31
IUPAC Namedibenzyl 5-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]piperidine-1,3-dicarboxylate
SMILESCC(C)(CO[Si](C)(C)C(C)(C)C)C1CC(C(=O)OCc2ccccc2)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C31H45NO5Si/c1-30(2,3)38(6,7)37-23-31(4,5)27-18-26(28(33)35-21-24-14-10-8-11-15-24)19-32(20-27)29(34)36-22-25-16-12-9-13-17-25/h8-17,26-27H,18-23H2,1-7H3
InChIKeyQCNFXTWZXGRHPU-UHFFFAOYSA-N
XLogP7.05
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.79
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate
CID 52915467
1-O-benzyl 3-O-ethyl (3R,5R)-5-hydroxypiperidine-1,3-dicarboxylate
CID 86318907
1-O-benzyl 3-O-ethyl (3S,5R)-5-hydroxypiperidine-1,3-dicarboxylate
CID 86318908
1-O-benzyl 3-O-ethyl (3S,5S)-5-fluoropiperidine-1,3-dicarboxylate
CID 99770766
benzyl (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyanopiperazine-1-carboxylate
CID 140869942
1-O-benzyl 2-O-methyl (2S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-3-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 155793123
3-O-benzyl 1-O-ethyl (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-1,3-dicarboxylate
CID 10410733
benzyl (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 102150396
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
benzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate
CID 171372709
1-O-tert-butyl 3-O-methyl (3S,5R)-5-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylate
CID 70274467
(3R,5S)-5-methoxy-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
CID 58284767

Frequently Asked Questions

What is the IUPAC name of dibenzyl 5-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]piperidine-1,3-dicarboxylate?
The IUPAC name of dibenzyl 5-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]piperidine-1,3-dicarboxylate (CID 177236675) is dibenzyl 5-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]piperidine-1,3-dicarboxylate.
What is the SMILES notation for dibenzyl 5-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]piperidine-1,3-dicarboxylate?
The canonical SMILES for dibenzyl 5-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]piperidine-1,3-dicarboxylate is CC(C)(CO[Si](C)(C)C(C)(C)C)C1CC(C(=O)OCc2ccccc2)CN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of dibenzyl 5-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]piperidine-1,3-dicarboxylate?
The InChIKey is QCNFXTWZXGRHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45NO5Si/c1-30(2,3)38(6,7)37-23-31(4,5)27-18-26(28(33)35-21-24-14-10-8-11-15-24)19-32(20-27)29(34)36-22-25-16-12-9-13-17-25/h8-17,26-27H,18-23H2,1-7H3.
What are the key properties of dibenzyl 5-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]piperidine-1,3-dicarboxylate?
dibenzyl 5-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]piperidine-1,3-dicarboxylate has a molecular weight of 539.79 g/mol, XLogP of 7.05, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl 5-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]piperidine-1,3-dicarboxylate is sourced from PubChem (CID 177236675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).