(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-prop-1-enyl]piperidin-2-one

C16H31NO2Si — CID 59891860

IUPAC(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-prop-1-enyl]piperidin-2-one
SMILESC/C=C/[C@@H]1NC(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C16H31NO2Si/c1-9-10-13-11(2)14(12(3)15(18)17-13)19-20(7,8)16(4,5)6/h9-14H,1-8H3,(H,17,18)/b10-9+/t11-,12+,13-,14-/m0/s1
InChIKeyYCCILACVPHBUJQ-CKJLRKCESA-N
MW297.51 g/mol
LogP3.72
Rot. Bonds3

About (3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-prop-1-enyl]piperidin-2-one

(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-prop-1-enyl]piperidin-2-one (PubChem CID 59891860) has the molecular formula C16H31NO2Si and a molecular weight of 297.51 g/mol. Its IUPAC name is (3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-prop-1-enyl]piperidin-2-one.

Molecular Properties

Compound Name(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-prop-1-enyl]piperidin-2-one
PubChem CID59891860
Molecular FormulaC16H31NO2Si
Molecular Weight297.51 g/mol
Exact Mass297.21
IUPAC Name(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-prop-1-enyl]piperidin-2-one
SMILESC/C=C/[C@@H]1NC(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C16H31NO2Si/c1-9-10-13-11(2)14(12(3)15(18)17-13)19-20(7,8)16(4,5)6/h9-14H,1-8H3,(H,17,18)/b10-9+/t11-,12+,13-,14-/m0/s1
InChIKeyYCCILACVPHBUJQ-CKJLRKCESA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-prop-1-enyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-prop-1-enyl]piperidin-2-one?
The IUPAC name of (3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-prop-1-enyl]piperidin-2-one (CID 59891860) is (3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-prop-1-enyl]piperidin-2-one.
What is the SMILES notation for (3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-prop-1-enyl]piperidin-2-one?
The canonical SMILES for (3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-prop-1-enyl]piperidin-2-one is C/C=C/[C@@H]1NC(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C.
What is the InChIKey of (3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-prop-1-enyl]piperidin-2-one?
The InChIKey is YCCILACVPHBUJQ-CKJLRKCESA-N. The full InChI is InChI=1S/C16H31NO2Si/c1-9-10-13-11(2)14(12(3)15(18)17-13)19-20(7,8)16(4,5)6/h9-14H,1-8H3,(H,17,18)/b10-9+/t11-,12+,13-,14-/m0/s1.
What are the key properties of (3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-prop-1-enyl]piperidin-2-one?
(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-prop-1-enyl]piperidin-2-one has a molecular weight of 297.51 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-prop-1-enyl]piperidin-2-one is sourced from PubChem (CID 59891860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).