methyl (2S,3R)-3-hydroxy-1-(2-methoxy-2-oxoethyl)-6-oxo-3-phenylpiperidine-2-carboxylate

C16H19NO6 — CID 15828687

IUPACmethyl (2S,3R)-3-hydroxy-1-(2-methoxy-2-oxoethyl)-6-oxo-3-phenylpiperidine-2-carboxylate
SMILESCOC(=O)CN1C(=O)CC[C@@](O)(c2ccccc2)[C@H]1C(=O)OC
InChIInChI=1S/C16H19NO6/c1-22-13(19)10-17-12(18)8-9-16(21,14(17)15(20)23-2)11-6-4-3-5-7-11/h3-7,14,21H,8-10H2,1-2H3/t14-,16-/m1/s1
InChIKeyLVFGPHKMUYJDPA-GDBMZVCRSA-N
MW321.33 g/mol
LogP0.21
Rot. Bonds4

About methyl (2S,3R)-3-hydroxy-1-(2-methoxy-2-oxoethyl)-6-oxo-3-phenylpiperidine-2-carboxylate

methyl (2S,3R)-3-hydroxy-1-(2-methoxy-2-oxoethyl)-6-oxo-3-phenylpiperidine-2-carboxylate (PubChem CID 15828687) has the molecular formula C16H19NO6 and a molecular weight of 321.33 g/mol. Its IUPAC name is methyl (2S,3R)-3-hydroxy-1-(2-methoxy-2-oxoethyl)-6-oxo-3-phenylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R)-3-hydroxy-1-(2-methoxy-2-oxoethyl)-6-oxo-3-phenylpiperidine-2-carboxylate
PubChem CID15828687
Molecular FormulaC16H19NO6
Molecular Weight321.33 g/mol
Exact Mass321.12
IUPAC Namemethyl (2S,3R)-3-hydroxy-1-(2-methoxy-2-oxoethyl)-6-oxo-3-phenylpiperidine-2-carboxylate
SMILESCOC(=O)CN1C(=O)CC[C@@](O)(c2ccccc2)[C@H]1C(=O)OC
InChIInChI=1S/C16H19NO6/c1-22-13(19)10-17-12(18)8-9-16(21,14(17)15(20)23-2)11-6-4-3-5-7-11/h3-7,14,21H,8-10H2,1-2H3/t14-,16-/m1/s1
InChIKeyLVFGPHKMUYJDPA-GDBMZVCRSA-N
XLogP0.21
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl (3S,4S,5S)-1-(2-methoxy-2-oxoethyl)-2-oxo-5-phenylpyrrolidine-3,4-dicarboxylate
CID 15314815
methyl 2-[(1S,2R)-2-hydroxy-2-phenylcyclohexyl]acetate
CID 100982423
methyl 3-(4-hydroxy-4-phenylpiperidin-1-yl)-3-oxopropanoate
CID 134069306
cis-methyl (1S,2S)-2-hydroxy-4,6-dioxo-2-phenylcyclohexane-1-carboxylate
CID 165341801
5-hydroxy-5-phenyl-1-azabicyclo[4.2.0]octan-2-one
CID 544551
methyl (2S)-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindole-2-carboxylate
CID 100944786
methyl 1-benzyl-6-oxopiperidine-2-carboxylate
CID 23525582
methyl 2-[(2S,5S)-5-(2-methoxy-2-oxoethyl)-3,6-dioxo-1,4-bis(2-oxo-2-phenylmethoxyethyl)piperazin-2-yl]acetate
CID 11215029
methyl 2-benzyl-7-oxo-2-azaspiro[4.5]decane-1-carboxylate
CID 14814823
1-[2-(4-methoxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-5-methylpyrrolidin-2-one
CID 72861394
methyl 2-[(6R)-6-(aminomethyl)-2,4-dioxo-3-phenyl-1,3-diazinan-1-yl]acetate
CID 102278438
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 43089229

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-3-hydroxy-1-(2-methoxy-2-oxoethyl)-6-oxo-3-phenylpiperidine-2-carboxylate?
The IUPAC name of methyl (2S,3R)-3-hydroxy-1-(2-methoxy-2-oxoethyl)-6-oxo-3-phenylpiperidine-2-carboxylate (CID 15828687) is methyl (2S,3R)-3-hydroxy-1-(2-methoxy-2-oxoethyl)-6-oxo-3-phenylpiperidine-2-carboxylate.
What is the SMILES notation for methyl (2S,3R)-3-hydroxy-1-(2-methoxy-2-oxoethyl)-6-oxo-3-phenylpiperidine-2-carboxylate?
The canonical SMILES for methyl (2S,3R)-3-hydroxy-1-(2-methoxy-2-oxoethyl)-6-oxo-3-phenylpiperidine-2-carboxylate is COC(=O)CN1C(=O)CC[C@@](O)(c2ccccc2)[C@H]1C(=O)OC.
What is the InChIKey of methyl (2S,3R)-3-hydroxy-1-(2-methoxy-2-oxoethyl)-6-oxo-3-phenylpiperidine-2-carboxylate?
The InChIKey is LVFGPHKMUYJDPA-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H19NO6/c1-22-13(19)10-17-12(18)8-9-16(21,14(17)15(20)23-2)11-6-4-3-5-7-11/h3-7,14,21H,8-10H2,1-2H3/t14-,16-/m1/s1.
What are the key properties of methyl (2S,3R)-3-hydroxy-1-(2-methoxy-2-oxoethyl)-6-oxo-3-phenylpiperidine-2-carboxylate?
methyl (2S,3R)-3-hydroxy-1-(2-methoxy-2-oxoethyl)-6-oxo-3-phenylpiperidine-2-carboxylate has a molecular weight of 321.33 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-3-hydroxy-1-(2-methoxy-2-oxoethyl)-6-oxo-3-phenylpiperidine-2-carboxylate is sourced from PubChem (CID 15828687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).