methyl (2R,5S)-5-hydroxy-5-methyl-6-oxo-2-phenylpiperidine-2-carboxylate

C14H17NO4 — CID 101131203

IUPACmethyl (2R,5S)-5-hydroxy-5-methyl-6-oxo-2-phenylpiperidine-2-carboxylate
SMILESCOC(=O)[C@]1(c2ccccc2)CC[C@](C)(O)C(=O)N1
InChIInChI=1S/C14H17NO4/c1-13(18)8-9-14(12(17)19-2,15-11(13)16)10-6-4-3-5-7-10/h3-7,18H,8-9H2,1-2H3,(H,15,16)/t13-,14+/m0/s1
InChIKeyNECUOZYITZPDJM-UONOGXRCSA-N
MW263.29 g/mol
LogP0.72
Rot. Bonds2

About methyl (2R,5S)-5-hydroxy-5-methyl-6-oxo-2-phenylpiperidine-2-carboxylate

methyl (2R,5S)-5-hydroxy-5-methyl-6-oxo-2-phenylpiperidine-2-carboxylate (PubChem CID 101131203) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl (2R,5S)-5-hydroxy-5-methyl-6-oxo-2-phenylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,5S)-5-hydroxy-5-methyl-6-oxo-2-phenylpiperidine-2-carboxylate
PubChem CID101131203
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl (2R,5S)-5-hydroxy-5-methyl-6-oxo-2-phenylpiperidine-2-carboxylate
SMILESCOC(=O)[C@]1(c2ccccc2)CC[C@](C)(O)C(=O)N1
InChIInChI=1S/C14H17NO4/c1-13(18)8-9-14(12(17)19-2,15-11(13)16)10-6-4-3-5-7-10/h3-7,18H,8-9H2,1-2H3,(H,15,16)/t13-,14+/m0/s1
InChIKeyNECUOZYITZPDJM-UONOGXRCSA-N
XLogP0.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,5R)-5-acetamido-5-methyl-6-oxo-2-phenylpiperidine-2-carboxylate
CID 101252237
methyl 2-phenylazepane-2-carboxylate
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methyl 4-bromo-6-fluoro-2-phenyl-1,3-dihydroindole-2-carboxylate
CID 156856278
methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate
CID 7127361
(3S,6R)-6-(butylaminomethyl)-3-hydroxy-3-methyl-6-phenylpiperidin-2-one
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methyl 1-hydroxy-5,5-diphenylcyclopent-2-ene-1-carboxylate
CID 14434450
dibenzyl (1R,4R)-3,6-dioxo-2,5-diazabicyclo[2.2.2]octane-1,4-dicarboxylate
CID 101205282
methyl 3-hydroxy-4,4-dimethyl-5-oxo-2,2-diphenyloxolane-3-carboxylate
CID 14077313
dimethyl 3-oxo-2H-isoindole-1,1-dicarboxylate
CID 125471809
methyl (1R,7R)-3-oxo-7-phenyl-4-oxa-2-azabicyclo[5.1.0]octane-1-carboxylate
CID 67524594
methyl 2-phenylspiro[2.3]hexane-2-carboxylate
CID 134589125
methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate
CID 100975897

Frequently Asked Questions

What is the IUPAC name of methyl (2R,5S)-5-hydroxy-5-methyl-6-oxo-2-phenylpiperidine-2-carboxylate?
The IUPAC name of methyl (2R,5S)-5-hydroxy-5-methyl-6-oxo-2-phenylpiperidine-2-carboxylate (CID 101131203) is methyl (2R,5S)-5-hydroxy-5-methyl-6-oxo-2-phenylpiperidine-2-carboxylate.
What is the SMILES notation for methyl (2R,5S)-5-hydroxy-5-methyl-6-oxo-2-phenylpiperidine-2-carboxylate?
The canonical SMILES for methyl (2R,5S)-5-hydroxy-5-methyl-6-oxo-2-phenylpiperidine-2-carboxylate is COC(=O)[C@]1(c2ccccc2)CC[C@](C)(O)C(=O)N1.
What is the InChIKey of methyl (2R,5S)-5-hydroxy-5-methyl-6-oxo-2-phenylpiperidine-2-carboxylate?
The InChIKey is NECUOZYITZPDJM-UONOGXRCSA-N. The full InChI is InChI=1S/C14H17NO4/c1-13(18)8-9-14(12(17)19-2,15-11(13)16)10-6-4-3-5-7-10/h3-7,18H,8-9H2,1-2H3,(H,15,16)/t13-,14+/m0/s1.
What are the key properties of methyl (2R,5S)-5-hydroxy-5-methyl-6-oxo-2-phenylpiperidine-2-carboxylate?
methyl (2R,5S)-5-hydroxy-5-methyl-6-oxo-2-phenylpiperidine-2-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,5S)-5-hydroxy-5-methyl-6-oxo-2-phenylpiperidine-2-carboxylate is sourced from PubChem (CID 101131203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).