5-[(2S,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one

C16H20N2O2 — CID 46938043

IUPAC5-[(2S,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one
SMILESO=c1cc([C@@H]2CCN[C@@H](CCc3ccccc3)C2)o[nH]1
InChIInChI=1S/C16H20N2O2/c19-16-11-15(20-18-16)13-8-9-17-14(10-13)7-6-12-4-2-1-3-5-12/h1-5,11,13-14,17H,6-10H2,(H,18,19)/t13-,14+/m1/s1
InChIKeyRUNJHXCAYKNYJM-KGLIPLIRSA-N
MW272.35 g/mol
LogP2.44
Rot. Bonds4

About 5-[(2S,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one

5-[(2S,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one (PubChem CID 46938043) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[(2S,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[(2S,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one
PubChem CID46938043
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-[(2S,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one
SMILESO=c1cc([C@@H]2CCN[C@@H](CCc3ccccc3)C2)o[nH]1
InChIInChI=1S/C16H20N2O2/c19-16-11-15(20-18-16)13-8-9-17-14(10-13)7-6-12-4-2-1-3-5-12/h1-5,11,13-14,17H,6-10H2,(H,18,19)/t13-,14+/m1/s1
InChIKeyRUNJHXCAYKNYJM-KGLIPLIRSA-N
XLogP2.44
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one?
The IUPAC name of 5-[(2S,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one (CID 46938043) is 5-[(2S,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[(2S,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[(2S,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one is O=c1cc([C@@H]2CCN[C@@H](CCc3ccccc3)C2)o[nH]1.
What is the InChIKey of 5-[(2S,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one?
The InChIKey is RUNJHXCAYKNYJM-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16-11-15(20-18-16)13-8-9-17-14(10-13)7-6-12-4-2-1-3-5-12/h1-5,11,13-14,17H,6-10H2,(H,18,19)/t13-,14+/m1/s1.
What are the key properties of 5-[(2S,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one?
5-[(2S,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one has a molecular weight of 272.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4R)-2-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 46938043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).