1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one

C27H39NO2Si — CID 18333409

IUPAC1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCC1(Cc2ccccc2)CCCN(Cc2ccccc2)C1=O
InChIInChI=1S/C27H39NO2Si/c1-26(2,3)31(4,5)30-20-18-27(21-23-13-8-6-9-14-23)17-12-19-28(25(27)29)22-24-15-10-7-11-16-24/h6-11,13-16H,12,17-22H2,1-5H3
InChIKeyBHEDFAIUIDTOEL-UHFFFAOYSA-N
MW437.70 g/mol
LogP6.45
Rot. Bonds8

About 1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one

1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one (PubChem CID 18333409) has the molecular formula C27H39NO2Si and a molecular weight of 437.70 g/mol. Its IUPAC name is 1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one.

Molecular Properties

Compound Name1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one
PubChem CID18333409
Molecular FormulaC27H39NO2Si
Molecular Weight437.70 g/mol
Exact Mass437.28
IUPAC Name1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCC1(Cc2ccccc2)CCCN(Cc2ccccc2)C1=O
InChIInChI=1S/C27H39NO2Si/c1-26(2,3)31(4,5)30-20-18-27(21-23-13-8-6-9-14-23)17-12-19-28(25(27)29)22-24-15-10-7-11-16-24/h6-11,13-16H,12,17-22H2,1-5H3
InChIKeyBHEDFAIUIDTOEL-UHFFFAOYSA-N
XLogP6.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.70
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one?
The IUPAC name of 1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one (CID 18333409) is 1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one.
What is the SMILES notation for 1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one?
The canonical SMILES for 1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one is CC(C)(C)[Si](C)(C)OCCC1(Cc2ccccc2)CCCN(Cc2ccccc2)C1=O.
What is the InChIKey of 1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one?
The InChIKey is BHEDFAIUIDTOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO2Si/c1-26(2,3)31(4,5)30-20-18-27(21-23-13-8-6-9-14-23)17-12-19-28(25(27)29)22-24-15-10-7-11-16-24/h6-11,13-16H,12,17-22H2,1-5H3.
What are the key properties of 1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one?
1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one has a molecular weight of 437.70 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one is sourced from PubChem (CID 18333409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).