3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one

C17H22N2O3 — CID 56811485

IUPAC3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one
SMILESO=C(c1ccccc1)C1CCN(CCN2CCOC2=O)CC1
InChIInChI=1S/C17H22N2O3/c20-16(14-4-2-1-3-5-14)15-6-8-18(9-7-15)10-11-19-12-13-22-17(19)21/h1-5,15H,6-13H2
InChIKeyVLXJOTPLIYRZOA-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.03
Rot. Bonds5

About 3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one

3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 56811485) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one
PubChem CID56811485
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one
SMILESO=C(c1ccccc1)C1CCN(CCN2CCOC2=O)CC1
InChIInChI=1S/C17H22N2O3/c20-16(14-4-2-1-3-5-14)15-6-8-18(9-7-15)10-11-19-12-13-22-17(19)21/h1-5,15H,6-13H2
InChIKeyVLXJOTPLIYRZOA-UHFFFAOYSA-N
XLogP2.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one (CID 56811485) is 3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one is O=C(c1ccccc1)C1CCN(CCN2CCOC2=O)CC1.
What is the InChIKey of 3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is VLXJOTPLIYRZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-16(14-4-2-1-3-5-14)15-6-8-18(9-7-15)10-11-19-12-13-22-17(19)21/h1-5,15H,6-13H2.
What are the key properties of 3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one?
3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 302.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-benzoylpiperidin-1-yl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 56811485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).