1-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]pyrrolidin-2-one

C15H30N2O2Si — CID 68501037

IUPAC1-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CNCC[C@H]1N1CCCC1=O
InChIInChI=1S/C15H30N2O2Si/c1-15(2,3)20(4,5)19-13-11-16-9-8-12(13)17-10-6-7-14(17)18/h12-13,16H,6-11H2,1-5H3/t12-,13+/m1/s1
InChIKeyLAZDVUZAAYUHJQ-OLZOCXBDSA-N
MW298.50 g/mol
LogP2.36
Rot. Bonds3

About 1-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]pyrrolidin-2-one

1-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]pyrrolidin-2-one (PubChem CID 68501037) has the molecular formula C15H30N2O2Si and a molecular weight of 298.50 g/mol. Its IUPAC name is 1-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]pyrrolidin-2-one
PubChem CID68501037
Molecular FormulaC15H30N2O2Si
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC Name1-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CNCC[C@H]1N1CCCC1=O
InChIInChI=1S/C15H30N2O2Si/c1-15(2,3)20(4,5)19-13-11-16-9-8-12(13)17-10-6-7-14(17)18/h12-13,16H,6-11H2,1-5H3/t12-,13+/m1/s1
InChIKeyLAZDVUZAAYUHJQ-OLZOCXBDSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(8R,9R,9aS)-8-[tert-butyl(dimethyl)silyl]oxy-9-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1,2,5,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-3-one
CID 11762229
1-[(1S,2R,3S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one
CID 67112213
1-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopent-3-en-1-yl]piperazin-2-one
CID 67362942
1-pyrrolidin-3-ylpiperidin-2-one
CID 62329305
tert-butyl-dimethyl-pyrrolidin-3-yloxysilane;hydrochloride
CID 153380494
ethyl (3R,4S)-3-(2-oxopiperidin-1-yl)piperidine-4-carboxylate
CID 147759481
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
tert-butyl-dimethyl-[[(3S)-piperidin-3-yl]methoxy]silane
CID 150934264
(4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one
CID 68797298
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one
CID 58604092
(1R,8aS)-1-[methyl(diphenyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11068140
(1R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]heptan-2-one
CID 11333985

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]pyrrolidin-2-one (CID 68501037) is 1-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]pyrrolidin-2-one is CC(C)(C)[Si](C)(C)O[C@H]1CNCC[C@H]1N1CCCC1=O.
What is the InChIKey of 1-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]pyrrolidin-2-one?
The InChIKey is LAZDVUZAAYUHJQ-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H30N2O2Si/c1-15(2,3)20(4,5)19-13-11-16-9-8-12(13)17-10-6-7-14(17)18/h12-13,16H,6-11H2,1-5H3/t12-,13+/m1/s1.
What are the key properties of 1-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]pyrrolidin-2-one?
1-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]pyrrolidin-2-one has a molecular weight of 298.50 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxypiperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 68501037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).