(6R)-6-[(1S)-1-(methoxymethoxy)-3-trimethylsilylprop-2-ynyl]piperidin-2-one

C13H23NO3Si — CID 134859671

IUPAC(6R)-6-[(1S)-1-(methoxymethoxy)-3-trimethylsilylprop-2-ynyl]piperidin-2-one
SMILESCOCO[C@@H](C#C[Si](C)(C)C)[C@H]1CCCC(=O)N1
InChIInChI=1S/C13H23NO3Si/c1-16-10-17-12(8-9-18(2,3)4)11-6-5-7-13(15)14-11/h11-12H,5-7,10H2,1-4H3,(H,14,15)/t11-,12+/m1/s1
InChIKeyRMUPXQLIMOECGW-NEPJUHHUSA-N
MW269.42 g/mol
LogP1.52
Rot. Bonds4

About (6R)-6-[(1S)-1-(methoxymethoxy)-3-trimethylsilylprop-2-ynyl]piperidin-2-one

(6R)-6-[(1S)-1-(methoxymethoxy)-3-trimethylsilylprop-2-ynyl]piperidin-2-one (PubChem CID 134859671) has the molecular formula C13H23NO3Si and a molecular weight of 269.42 g/mol. Its IUPAC name is (6R)-6-[(1S)-1-(methoxymethoxy)-3-trimethylsilylprop-2-ynyl]piperidin-2-one.

Molecular Properties

Compound Name(6R)-6-[(1S)-1-(methoxymethoxy)-3-trimethylsilylprop-2-ynyl]piperidin-2-one
PubChem CID134859671
Molecular FormulaC13H23NO3Si
Molecular Weight269.42 g/mol
Exact Mass269.14
IUPAC Name(6R)-6-[(1S)-1-(methoxymethoxy)-3-trimethylsilylprop-2-ynyl]piperidin-2-one
SMILESCOCO[C@@H](C#C[Si](C)(C)C)[C@H]1CCCC(=O)N1
InChIInChI=1S/C13H23NO3Si/c1-16-10-17-12(8-9-18(2,3)4)11-6-5-7-13(15)14-11/h11-12H,5-7,10H2,1-4H3,(H,14,15)/t11-,12+/m1/s1
InChIKeyRMUPXQLIMOECGW-NEPJUHHUSA-N
XLogP1.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(1S)-1-(methoxymethoxy)-3-trimethylsilylprop-2-ynyl]piperidin-2-one?
The IUPAC name of (6R)-6-[(1S)-1-(methoxymethoxy)-3-trimethylsilylprop-2-ynyl]piperidin-2-one (CID 134859671) is (6R)-6-[(1S)-1-(methoxymethoxy)-3-trimethylsilylprop-2-ynyl]piperidin-2-one.
What is the SMILES notation for (6R)-6-[(1S)-1-(methoxymethoxy)-3-trimethylsilylprop-2-ynyl]piperidin-2-one?
The canonical SMILES for (6R)-6-[(1S)-1-(methoxymethoxy)-3-trimethylsilylprop-2-ynyl]piperidin-2-one is COCO[C@@H](C#C[Si](C)(C)C)[C@H]1CCCC(=O)N1.
What is the InChIKey of (6R)-6-[(1S)-1-(methoxymethoxy)-3-trimethylsilylprop-2-ynyl]piperidin-2-one?
The InChIKey is RMUPXQLIMOECGW-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H23NO3Si/c1-16-10-17-12(8-9-18(2,3)4)11-6-5-7-13(15)14-11/h11-12H,5-7,10H2,1-4H3,(H,14,15)/t11-,12+/m1/s1.
What are the key properties of (6R)-6-[(1S)-1-(methoxymethoxy)-3-trimethylsilylprop-2-ynyl]piperidin-2-one?
(6R)-6-[(1S)-1-(methoxymethoxy)-3-trimethylsilylprop-2-ynyl]piperidin-2-one has a molecular weight of 269.42 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(1S)-1-(methoxymethoxy)-3-trimethylsilylprop-2-ynyl]piperidin-2-one is sourced from PubChem (CID 134859671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).