tert-butyl (3R,5R,6S)-2-oxo-5,6-diphenyl-3-[1-(2-trimethylsilylethoxycarbonyl)piperidin-4-yl]morpholine-4-carboxylate

C32H44N2O6Si — CID 90791180

IUPACtert-butyl (3R,5R,6S)-2-oxo-5,6-diphenyl-3-[1-(2-trimethylsilylethoxycarbonyl)piperidin-4-yl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](c2ccccc2)[C@H](c2ccccc2)OC(=O)[C@H]1C1CCN(C(=O)OCC[Si](C)(C)C)CC1
InChIInChI=1S/C32H44N2O6Si/c1-32(2,3)40-31(37)34-26(23-13-9-7-10-14-23)28(25-15-11-8-12-16-25)39-29(35)27(34)24-17-19-33(20-18-24)30(36)38-21-22-41(4,5)6/h7-16,24,26-28H,17-22H2,1-6H3/t26-,27-,28+/m1/s1
InChIKeyLETKMSIZHAZHQX-FCEKVYKBSA-N
MW580.80 g/mol
LogP6.82
Rot. Bonds6

About tert-butyl (3R,5R,6S)-2-oxo-5,6-diphenyl-3-[1-(2-trimethylsilylethoxycarbonyl)piperidin-4-yl]morpholine-4-carboxylate

tert-butyl (3R,5R,6S)-2-oxo-5,6-diphenyl-3-[1-(2-trimethylsilylethoxycarbonyl)piperidin-4-yl]morpholine-4-carboxylate (PubChem CID 90791180) has the molecular formula C32H44N2O6Si and a molecular weight of 580.80 g/mol. Its IUPAC name is tert-butyl (3R,5R,6S)-2-oxo-5,6-diphenyl-3-[1-(2-trimethylsilylethoxycarbonyl)piperidin-4-yl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5R,6S)-2-oxo-5,6-diphenyl-3-[1-(2-trimethylsilylethoxycarbonyl)piperidin-4-yl]morpholine-4-carboxylate
PubChem CID90791180
Molecular FormulaC32H44N2O6Si
Molecular Weight580.80 g/mol
Exact Mass580.30
IUPAC Nametert-butyl (3R,5R,6S)-2-oxo-5,6-diphenyl-3-[1-(2-trimethylsilylethoxycarbonyl)piperidin-4-yl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](c2ccccc2)[C@H](c2ccccc2)OC(=O)[C@H]1C1CCN(C(=O)OCC[Si](C)(C)C)CC1
InChIInChI=1S/C32H44N2O6Si/c1-32(2,3)40-31(37)34-26(23-13-9-7-10-14-23)28(25-15-11-8-12-16-25)39-29(35)27(34)24-17-19-33(20-18-24)30(36)38-21-22-41(4,5)6/h7-16,24,26-28H,17-22H2,1-6H3/t26-,27-,28+/m1/s1
InChIKeyLETKMSIZHAZHQX-FCEKVYKBSA-N
XLogP6.82
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.80
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3R,5R,6S)-3-[(1-methylcyclopropyl)methyl]-2-oxo-5,6-diphenylmorpholine-4-carboxylate
CID 90891236
tert-butyl (3S,5S,6R)-3-but-3-enyl-2-oxo-5,6-diphenylmorpholine-4-carboxylate
CID 10454077
tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 101106252
tert-butyl 4-(phenylmethoxycarbonylamino)-3-(2-trimethylsilylethoxycarbonylamino)piperidine-1-carboxylate
CID 140672940
tert-butyl (3S,5S,6R)-3-[[3-tert-butyl-4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-2-oxo-5,6-diphenylmorpholine-4-carboxylate
CID 57296200
benzyl 4-[1,3-dihydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate
CID 177118557
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
(2R)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanoic acid;tert-butyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate;tert-butyl (3R,5R,6S)-2-oxo-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholine-4-carboxylate;ethane
CID 159015812
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylpiperidine-1-carboxylate
CID 129189016
tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate
CID 129162455
tert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol
CID 142239984

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5R,6S)-2-oxo-5,6-diphenyl-3-[1-(2-trimethylsilylethoxycarbonyl)piperidin-4-yl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (3R,5R,6S)-2-oxo-5,6-diphenyl-3-[1-(2-trimethylsilylethoxycarbonyl)piperidin-4-yl]morpholine-4-carboxylate (CID 90791180) is tert-butyl (3R,5R,6S)-2-oxo-5,6-diphenyl-3-[1-(2-trimethylsilylethoxycarbonyl)piperidin-4-yl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3R,5R,6S)-2-oxo-5,6-diphenyl-3-[1-(2-trimethylsilylethoxycarbonyl)piperidin-4-yl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3R,5R,6S)-2-oxo-5,6-diphenyl-3-[1-(2-trimethylsilylethoxycarbonyl)piperidin-4-yl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1[C@H](c2ccccc2)[C@H](c2ccccc2)OC(=O)[C@H]1C1CCN(C(=O)OCC[Si](C)(C)C)CC1.
What is the InChIKey of tert-butyl (3R,5R,6S)-2-oxo-5,6-diphenyl-3-[1-(2-trimethylsilylethoxycarbonyl)piperidin-4-yl]morpholine-4-carboxylate?
The InChIKey is LETKMSIZHAZHQX-FCEKVYKBSA-N. The full InChI is InChI=1S/C32H44N2O6Si/c1-32(2,3)40-31(37)34-26(23-13-9-7-10-14-23)28(25-15-11-8-12-16-25)39-29(35)27(34)24-17-19-33(20-18-24)30(36)38-21-22-41(4,5)6/h7-16,24,26-28H,17-22H2,1-6H3/t26-,27-,28+/m1/s1.
What are the key properties of tert-butyl (3R,5R,6S)-2-oxo-5,6-diphenyl-3-[1-(2-trimethylsilylethoxycarbonyl)piperidin-4-yl]morpholine-4-carboxylate?
tert-butyl (3R,5R,6S)-2-oxo-5,6-diphenyl-3-[1-(2-trimethylsilylethoxycarbonyl)piperidin-4-yl]morpholine-4-carboxylate has a molecular weight of 580.80 g/mol, XLogP of 6.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5R,6S)-2-oxo-5,6-diphenyl-3-[1-(2-trimethylsilylethoxycarbonyl)piperidin-4-yl]morpholine-4-carboxylate is sourced from PubChem (CID 90791180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).