3-(2-methylidenebutylamino)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione

C16H30N2O3Si — CID 174035651

IUPAC3-(2-methylidenebutylamino)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
SMILESC=C(CC)CNC1CCC(=O)N(COCC[Si](C)(C)C)C1=O
InChIInChI=1S/C16H30N2O3Si/c1-6-13(2)11-17-14-7-8-15(19)18(16(14)20)12-21-9-10-22(3,4)5/h14,17H,2,6-12H2,1,3-5H3
InChIKeyYTQCTQVSSVLENJ-UHFFFAOYSA-N
MW326.51 g/mol
LogP2.37
Rot. Bonds9

About 3-(2-methylidenebutylamino)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione

3-(2-methylidenebutylamino)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione (PubChem CID 174035651) has the molecular formula C16H30N2O3Si and a molecular weight of 326.51 g/mol. Its IUPAC name is 3-(2-methylidenebutylamino)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-methylidenebutylamino)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
PubChem CID174035651
Molecular FormulaC16H30N2O3Si
Molecular Weight326.51 g/mol
Exact Mass326.20
IUPAC Name3-(2-methylidenebutylamino)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
SMILESC=C(CC)CNC1CCC(=O)N(COCC[Si](C)(C)C)C1=O
InChIInChI=1S/C16H30N2O3Si/c1-6-13(2)11-17-14-7-8-15(19)18(16(14)20)12-21-9-10-22(3,4)5/h14,17H,2,6-12H2,1,3-5H3
InChIKeyYTQCTQVSSVLENJ-UHFFFAOYSA-N
XLogP2.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxyphenyl)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
CID 168874537
1-methyl-3-(2-methylidenebutylamino)pyrrolidin-2-one
CID 106256749
1-methyl-3-(2-methylidenebutylamino)pyrrolidine-2,5-dione
CID 66046673
1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazole-5-carbaldehyde
CID 176886253
tert-butyl N-[(1S,2S)-2-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]cycloheptyl]carbamate
CID 153313010
tert-butyl N-[3-[[1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]amino]cyclobutyl]carbamate
CID 176886457
3-[6-[(3R,4S)-4-methyloxolan-3-yl]oxy-3-oxo-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
CID 153312981
tert-butyl 6-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 166154091
3-[6-[[(1-benzylpiperidin-4-yl)amino]methyl]-3-oxo-1H-isoindol-2-yl]-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
CID 168960538
3-(7-nitro-2-oxo-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione
CID 176886421
tert-butyl N-[(1S,2R)-2-[[2-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-6-fluoro-1-oxo-3H-isoindol-5-yl]methyl]cyclohexyl]carbamate
CID 169068120
benzyl 4-[[1-[2,6-dioxo-1-(2-trimethylsilylethoxymethyl)piperidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]methyl]piperazine-1-carboxylate
CID 176886388

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylidenebutylamino)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione?
The IUPAC name of 3-(2-methylidenebutylamino)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione (CID 174035651) is 3-(2-methylidenebutylamino)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-methylidenebutylamino)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione?
The canonical SMILES for 3-(2-methylidenebutylamino)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione is C=C(CC)CNC1CCC(=O)N(COCC[Si](C)(C)C)C1=O.
What is the InChIKey of 3-(2-methylidenebutylamino)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione?
The InChIKey is YTQCTQVSSVLENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3Si/c1-6-13(2)11-17-14-7-8-15(19)18(16(14)20)12-21-9-10-22(3,4)5/h14,17H,2,6-12H2,1,3-5H3.
What are the key properties of 3-(2-methylidenebutylamino)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione?
3-(2-methylidenebutylamino)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione has a molecular weight of 326.51 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylidenebutylamino)-1-(2-trimethylsilylethoxymethyl)piperidine-2,6-dione is sourced from PubChem (CID 174035651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).