[(3S)-2-oxopiperidin-3-yl] (2S)-2-phenylpropanoate

C14H17NO3 — CID 138980268

IUPAC[(3S)-2-oxopiperidin-3-yl] (2S)-2-phenylpropanoate
SMILESC[C@H](C(=O)O[C@H]1CCCNC1=O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-10(11-6-3-2-4-7-11)14(17)18-12-8-5-9-15-13(12)16/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,15,16)/t10-,12-/m0/s1
InChIKeyQEUNFRPZQUEIMI-JQWIXIFHSA-N
MW247.29 g/mol
LogP1.61
Rot. Bonds3

About [(3S)-2-oxopiperidin-3-yl] (2S)-2-phenylpropanoate

[(3S)-2-oxopiperidin-3-yl] (2S)-2-phenylpropanoate (PubChem CID 138980268) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is [(3S)-2-oxopiperidin-3-yl] (2S)-2-phenylpropanoate.

Molecular Properties

Compound Name[(3S)-2-oxopiperidin-3-yl] (2S)-2-phenylpropanoate
PubChem CID138980268
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name[(3S)-2-oxopiperidin-3-yl] (2S)-2-phenylpropanoate
SMILESC[C@H](C(=O)O[C@H]1CCCNC1=O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-10(11-6-3-2-4-7-11)14(17)18-12-8-5-9-15-13(12)16/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,15,16)/t10-,12-/m0/s1
InChIKeyQEUNFRPZQUEIMI-JQWIXIFHSA-N
XLogP1.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidolate
CID 4839
Normeperidine
CID 32414
4-Piperidinecarboxylic acid, 4-phenyl-, ethyl ester, hydrochloride (1:1)
CID 53444519
Lactam
CID 53982816
[2-(4-Ethylphenyl)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2419555
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-phenylbutanoate
CID 3453266
2-(Cyclohexylamino)-2-oxoethyl (4-fluorophenyl)acetate
CID 7759347
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenyl)acetate
CID 8661334
1-Methylpiperidin-3-yl diphenylacetate
CID 407339
[(3R)-1-ethylpiperidin-3-yl] 2,2-diphenylacetate
CID 688564
[2-Oxo-2-(2-phenylethylamino)ethyl] cyclohexanecarboxylate
CID 3612465
[2-Oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 4321190

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxopiperidin-3-yl] (2S)-2-phenylpropanoate?
The IUPAC name of [(3S)-2-oxopiperidin-3-yl] (2S)-2-phenylpropanoate (CID 138980268) is [(3S)-2-oxopiperidin-3-yl] (2S)-2-phenylpropanoate.
What is the SMILES notation for [(3S)-2-oxopiperidin-3-yl] (2S)-2-phenylpropanoate?
The canonical SMILES for [(3S)-2-oxopiperidin-3-yl] (2S)-2-phenylpropanoate is C[C@H](C(=O)O[C@H]1CCCNC1=O)c1ccccc1.
What is the InChIKey of [(3S)-2-oxopiperidin-3-yl] (2S)-2-phenylpropanoate?
The InChIKey is QEUNFRPZQUEIMI-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(11-6-3-2-4-7-11)14(17)18-12-8-5-9-15-13(12)16/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,15,16)/t10-,12-/m0/s1.
What are the key properties of [(3S)-2-oxopiperidin-3-yl] (2S)-2-phenylpropanoate?
[(3S)-2-oxopiperidin-3-yl] (2S)-2-phenylpropanoate has a molecular weight of 247.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxopiperidin-3-yl] (2S)-2-phenylpropanoate is sourced from PubChem (CID 138980268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).