(5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one

C18H29NO2Si — CID 102262809

IUPAC(5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H29NO2Si/c1-18(2,3)22(4,5)21-16-11-12-17(20)19(14-16)13-15-9-7-6-8-10-15/h6-10,16H,11-14H2,1-5H3/t16-/m0/s1
InChIKeyZIQQFUCTDZFPGT-INIZCTEOSA-N
MW319.52 g/mol
LogP4.20
Rot. Bonds4

About (5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one

(5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one (PubChem CID 102262809) has the molecular formula C18H29NO2Si and a molecular weight of 319.52 g/mol. Its IUPAC name is (5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one.

Molecular Properties

Compound Name(5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one
PubChem CID102262809
Molecular FormulaC18H29NO2Si
Molecular Weight319.52 g/mol
Exact Mass319.20
IUPAC Name(5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H29NO2Si/c1-18(2,3)22(4,5)21-16-11-12-17(20)19(14-16)13-15-9-7-6-8-10-15/h6-10,16H,11-14H2,1-5H3/t16-/m0/s1
InChIKeyZIQQFUCTDZFPGT-INIZCTEOSA-N
XLogP4.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,3R,7R,9R)-5-benzyl-7-[tert-butyl(dimethyl)silyl]oxy-3-chloro-5-azabicyclo[7.1.0]decan-4-one
CID 11315782
(5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one
CID 10337911
[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 139674628
(1-benzyl-5-methylpyrrolidin-3-yl)oxy-tert-butyl-dimethylsilane
CID 152571898
(2R,4S)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid
CID 175140102
1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylic acid
CID 67033582
(5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one
CID 122231032
(3S,4S)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-2,5-dione
CID 11102405
[(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]oct-6-en-3-yl]oxy-tert-butyl-dimethylsilane
CID 102324960
(6S)-1-benzyl-6-hydroxyazepan-2-one
CID 142998069
ethyl (2S,4R)-1-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate
CID 23248578
(5S)-1-benzyl-5-(dibenzylamino)piperidin-2-one
CID 10691445

Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one?
The IUPAC name of (5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one (CID 102262809) is (5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one.
What is the SMILES notation for (5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one?
The canonical SMILES for (5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one is CC(C)(C)[Si](C)(C)O[C@H]1CCC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one?
The InChIKey is ZIQQFUCTDZFPGT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H29NO2Si/c1-18(2,3)22(4,5)21-16-11-12-17(20)19(14-16)13-15-9-7-6-8-10-15/h6-10,16H,11-14H2,1-5H3/t16-/m0/s1.
What are the key properties of (5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one?
(5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one has a molecular weight of 319.52 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one is sourced from PubChem (CID 102262809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).