benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-oxopiperidine-1-carboxylate

C22H35NO4Si — CID 66593752

IUPACbenzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-oxopiperidine-1-carboxylate
SMILESCCC1CN(C(=O)OCc2ccccc2)C(CO[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C22H35NO4Si/c1-7-18-14-23(21(25)26-15-17-11-9-8-10-12-17)19(13-20(18)24)16-27-28(5,6)22(2,3)4/h8-12,18-19H,7,13-16H2,1-6H3
InChIKeyOLQNVMSVZMUBAW-UHFFFAOYSA-N
MW405.61 g/mol
LogP5.01
Rot. Bonds6

About benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-oxopiperidine-1-carboxylate

benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-oxopiperidine-1-carboxylate (PubChem CID 66593752) has the molecular formula C22H35NO4Si and a molecular weight of 405.61 g/mol. Its IUPAC name is benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-oxopiperidine-1-carboxylate
PubChem CID66593752
Molecular FormulaC22H35NO4Si
Molecular Weight405.61 g/mol
Exact Mass405.23
IUPAC Namebenzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-oxopiperidine-1-carboxylate
SMILESCCC1CN(C(=O)OCc2ccccc2)C(CO[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C22H35NO4Si/c1-7-18-14-23(21(25)26-15-17-11-9-8-10-12-17)19(13-20(18)24)16-27-28(5,6)22(2,3)4/h8-12,18-19H,7,13-16H2,1-6H3
InChIKeyOLQNVMSVZMUBAW-UHFFFAOYSA-N
XLogP5.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.61
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-oxopiperidine-1-carboxylate?
The IUPAC name of benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-oxopiperidine-1-carboxylate (CID 66593752) is benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-oxopiperidine-1-carboxylate?
The canonical SMILES for benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-oxopiperidine-1-carboxylate is CCC1CN(C(=O)OCc2ccccc2)C(CO[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-oxopiperidine-1-carboxylate?
The InChIKey is OLQNVMSVZMUBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO4Si/c1-7-18-14-23(21(25)26-15-17-11-9-8-10-12-17)19(13-20(18)24)16-27-28(5,6)22(2,3)4/h8-12,18-19H,7,13-16H2,1-6H3.
What are the key properties of benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-oxopiperidine-1-carboxylate?
benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-oxopiperidine-1-carboxylate has a molecular weight of 405.61 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethyl-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 66593752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).