(5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one

C27H46N2O3Si — CID 132600950

IUPAC(5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one
SMILESCC1(C)CCCC(C)(C)N1OC1C[C@@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C27H46N2O3Si/c1-25(2,3)33(8,9)31-20-22-18-23(24(30)28(22)19-21-14-11-10-12-15-21)32-29-26(4,5)16-13-17-27(29,6)7/h10-12,14-15,22-23H,13,16-20H2,1-9H3/t22-,23?/m0/s1
InChIKeyTVMQBCMLCMIGHR-NQCNTLBGSA-N
MW474.76 g/mol
LogP6.15
Rot. Bonds7

About (5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one

(5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one (PubChem CID 132600950) has the molecular formula C27H46N2O3Si and a molecular weight of 474.76 g/mol. Its IUPAC name is (5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one
PubChem CID132600950
Molecular FormulaC27H46N2O3Si
Molecular Weight474.76 g/mol
Exact Mass474.33
IUPAC Name(5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one
SMILESCC1(C)CCCC(C)(C)N1OC1C[C@@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C27H46N2O3Si/c1-25(2,3)33(8,9)31-20-22-18-23(24(30)28(22)19-21-14-11-10-12-15-21)32-29-26(4,5)16-13-17-27(29,6)7/h10-12,14-15,22-23H,13,16-20H2,1-9H3/t22-,23?/m0/s1
InChIKeyTVMQBCMLCMIGHR-NQCNTLBGSA-N
XLogP6.15
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.76
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R*,4S*,5R*)-5-allyl-1-benzyl-3,4-bis(tert-butyldimethylsilyloxy)-2-pyrrolidinone
CID 10412681
(2S)-2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde
CID 11068016
(5S)-1-benzyl-5-(hydroxymethyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one
CID 132600949
(3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-methylpyrrolidin-2-one
CID 134863976
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(E)-3-phenylprop-2-enyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one
CID 162416172
(3R,5S)-1-benzyl-5-(hydroxymethyl)-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one
CID 168330495
(3R,5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoropyrrolidin-2-one
CID 101170041
(3R,5S)-1-benzyl-3-fluoro-5-[tri(propan-2-yl)silyloxymethyl]pyrrolidin-2-one
CID 101170043
(S)-1-Benzyl-5-(((tert-butyldimethylsilyl)oxy)methyl)pyrrolidin-2-one
CID 10881725
1-Benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-enylpyrrolidin-2-one
CID 17866121
1-Benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one
CID 19900198
(4R,5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-ethenylpyrrolidin-2-one
CID 60003986

Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one?
The IUPAC name of (5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one (CID 132600950) is (5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one.
What is the SMILES notation for (5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one?
The canonical SMILES for (5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one is CC1(C)CCCC(C)(C)N1OC1C[C@@H](CO[Si](C)(C)C(C)(C)C)N(Cc2ccccc2)C1=O.
What is the InChIKey of (5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one?
The InChIKey is TVMQBCMLCMIGHR-NQCNTLBGSA-N. The full InChI is InChI=1S/C27H46N2O3Si/c1-25(2,3)33(8,9)31-20-22-18-23(24(30)28(22)19-21-14-11-10-12-15-21)32-29-26(4,5)16-13-17-27(29,6)7/h10-12,14-15,22-23H,13,16-20H2,1-9H3/t22-,23?/m0/s1.
What are the key properties of (5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one?
(5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one has a molecular weight of 474.76 g/mol, XLogP of 6.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2,2,6,6-tetramethylpiperidin-1-yl)oxypyrrolidin-2-one is sourced from PubChem (CID 132600950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).