1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)piperidin-2-one

C27H39NO2Si — CID 173284337

IUPAC1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)piperidin-2-one
SMILESC[SiH](C)OC(CC1(Cc2ccccc2)CCCN(Cc2ccccc2)C1=O)C(C)(C)C
InChIInChI=1S/C27H39NO2Si/c1-26(2,3)24(30-31(4)5)20-27(19-22-13-8-6-9-14-22)17-12-18-28(25(27)29)21-23-15-10-7-11-16-23/h6-11,13-16,24,31H,12,17-21H2,1-5H3
InChIKeyTZRKNGYMTNCQEI-UHFFFAOYSA-N
MW437.70 g/mol
LogP5.84
Rot. Bonds8

About 1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)piperidin-2-one

1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)piperidin-2-one (PubChem CID 173284337) has the molecular formula C27H39NO2Si and a molecular weight of 437.70 g/mol. Its IUPAC name is 1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)piperidin-2-one.

Molecular Properties

Compound Name1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)piperidin-2-one
PubChem CID173284337
Molecular FormulaC27H39NO2Si
Molecular Weight437.70 g/mol
Exact Mass437.28
IUPAC Name1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)piperidin-2-one
SMILESC[SiH](C)OC(CC1(Cc2ccccc2)CCCN(Cc2ccccc2)C1=O)C(C)(C)C
InChIInChI=1S/C27H39NO2Si/c1-26(2,3)24(30-31(4)5)20-27(19-22-13-8-6-9-14-22)17-12-18-28(25(27)29)21-23-15-10-7-11-16-23/h6-11,13-16,24,31H,12,17-21H2,1-5H3
InChIKeyTZRKNGYMTNCQEI-UHFFFAOYSA-N
XLogP5.84
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 ≤ 55.84
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-dimethylsilyloxy-3,3-dimethylbutyl)piperidin-2-one?
The IUPAC name of 1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)piperidin-2-one (CID 173284337) is 1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)piperidin-2-one.
What is the SMILES notation for 1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)piperidin-2-one?
The canonical SMILES for 1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)piperidin-2-one is C[SiH](C)OC(CC1(Cc2ccccc2)CCCN(Cc2ccccc2)C1=O)C(C)(C)C.
What is the InChIKey of 1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)piperidin-2-one?
The InChIKey is TZRKNGYMTNCQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO2Si/c1-26(2,3)24(30-31(4)5)20-27(19-22-13-8-6-9-14-22)17-12-18-28(25(27)29)21-23-15-10-7-11-16-23/h6-11,13-16,24,31H,12,17-21H2,1-5H3.
What are the key properties of 1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)piperidin-2-one?
1,3-dibenzyl-3-(2-dimethylsilyloxy-3,3-dimethylbutyl)piperidin-2-one has a molecular weight of 437.70 g/mol, XLogP of 5.84, 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-dimethylsilyloxy-3,3-dimethylbutyl)piperidin-2-one is sourced from PubChem (CID 173284337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).