(3S)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one

C13H28N2O2Si — CID 141190377

IUPAC(3S)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCN1CCC[C@H](N)C1=O
InChIInChI=1S/C13H28N2O2Si/c1-13(2,3)18(4,5)17-10-9-15-8-6-7-11(14)12(15)16/h11H,6-10,14H2,1-5H3/t11-/m0/s1
InChIKeyLMOMSRFALBIKGQ-NSHDSACASA-N
MW272.46 g/mol
LogP1.96
Rot. Bonds4

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

(3S)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one (PubChem CID 141190377) has the molecular formula C13H28N2O2Si and a molecular weight of 272.46 g/mol. Its IUPAC name is (3S)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one
PubChem CID141190377
Molecular FormulaC13H28N2O2Si
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name(3S)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one
SMILESCC(C)(C)[Si](C)(C)OCCN1CCC[C@H](N)C1=O
InChIInChI=1S/C13H28N2O2Si/c1-13(2,3)18(4,5)17-10-9-15-8-6-7-11(14)12(15)16/h11H,6-10,14H2,1-5H3/t11-/m0/s1
InChIKeyLMOMSRFALBIKGQ-NSHDSACASA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3S)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one?
The IUPAC name of (3S)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one (CID 141190377) is (3S)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one.
What is the SMILES notation for (3S)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one?
The canonical SMILES for (3S)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one is CC(C)(C)[Si](C)(C)OCCN1CCC[C@H](N)C1=O.
What is the InChIKey of (3S)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one?
The InChIKey is LMOMSRFALBIKGQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H28N2O2Si/c1-13(2,3)18(4,5)17-10-9-15-8-6-7-11(14)12(15)16/h11H,6-10,14H2,1-5H3/t11-/m0/s1.
What are the key properties of (3S)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one?
(3S)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one has a molecular weight of 272.46 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one is sourced from PubChem (CID 141190377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).