1-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]piperazin-2-one

C15H28N2O2Si — CID 67362942

IUPAC1-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]piperazin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=CC[C@@H]1N1CCNCC1=O
InChIInChI=1S/C15H28N2O2Si/c1-15(2,3)20(4,5)19-13-8-6-7-12(13)17-10-9-16-11-14(17)18/h6,8,12-13,16H,7,9-11H2,1-5H3/t12-,13+/m0/s1
InChIKeyZQPJZEVJACJUHV-QWHCGFSZSA-N
MW296.49 g/mol
LogP2.14
Rot. Bonds3

About 1-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]piperazin-2-one

1-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]piperazin-2-one (PubChem CID 67362942) has the molecular formula C15H28N2O2Si and a molecular weight of 296.49 g/mol. Its IUPAC name is 1-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]piperazin-2-one
PubChem CID67362942
Molecular FormulaC15H28N2O2Si
Molecular Weight296.49 g/mol
Exact Mass296.19
IUPAC Name1-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]piperazin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C=CC[C@@H]1N1CCNCC1=O
InChIInChI=1S/C15H28N2O2Si/c1-15(2,3)20(4,5)19-13-8-6-7-12(13)17-10-9-16-11-14(17)18/h6,8,12-13,16H,7,9-11H2,1-5H3/t12-,13+/m0/s1
InChIKeyZQPJZEVJACJUHV-QWHCGFSZSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.49
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]piperazin-2-one?
The IUPAC name of 1-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]piperazin-2-one (CID 67362942) is 1-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]piperazin-2-one.
What is the SMILES notation for 1-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]piperazin-2-one?
The canonical SMILES for 1-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]piperazin-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1C=CC[C@@H]1N1CCNCC1=O.
What is the InChIKey of 1-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]piperazin-2-one?
The InChIKey is ZQPJZEVJACJUHV-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H28N2O2Si/c1-15(2,3)20(4,5)19-13-8-6-7-12(13)17-10-9-16-11-14(17)18/h6,8,12-13,16H,7,9-11H2,1-5H3/t12-,13+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]piperazin-2-one?
1-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]piperazin-2-one has a molecular weight of 296.49 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]piperazin-2-one is sourced from PubChem (CID 67362942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).