5,5-dimethyl-3-piperidin-4-yl-1,3-oxazolidin-2-one

C10H18N2O2 — CID 68502331

IUPAC5,5-dimethyl-3-piperidin-4-yl-1,3-oxazolidin-2-one
SMILESCC1(C)CN(C2CCNCC2)C(=O)O1
InChIInChI=1S/C10H18N2O2/c1-10(2)7-12(9(13)14-10)8-3-5-11-6-4-8/h8,11H,3-7H2,1-2H3
InChIKeyXRKACNDPLREQBV-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.97
Rot. Bonds1

About 5,5-dimethyl-3-piperidin-4-yl-1,3-oxazolidin-2-one

5,5-dimethyl-3-piperidin-4-yl-1,3-oxazolidin-2-one (PubChem CID 68502331) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 5,5-dimethyl-3-piperidin-4-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-piperidin-4-yl-1,3-oxazolidin-2-one
PubChem CID68502331
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name5,5-dimethyl-3-piperidin-4-yl-1,3-oxazolidin-2-one
SMILESCC1(C)CN(C2CCNCC2)C(=O)O1
InChIInChI=1S/C10H18N2O2/c1-10(2)7-12(9(13)14-10)8-3-5-11-6-4-8/h8,11H,3-7H2,1-2H3
InChIKeyXRKACNDPLREQBV-UHFFFAOYSA-N
XLogP0.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-piperidin-4-yl-1,3-oxazolidin-2-one?
The IUPAC name of 5,5-dimethyl-3-piperidin-4-yl-1,3-oxazolidin-2-one (CID 68502331) is 5,5-dimethyl-3-piperidin-4-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-3-piperidin-4-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 5,5-dimethyl-3-piperidin-4-yl-1,3-oxazolidin-2-one is CC1(C)CN(C2CCNCC2)C(=O)O1.
What is the InChIKey of 5,5-dimethyl-3-piperidin-4-yl-1,3-oxazolidin-2-one?
The InChIKey is XRKACNDPLREQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2)7-12(9(13)14-10)8-3-5-11-6-4-8/h8,11H,3-7H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-piperidin-4-yl-1,3-oxazolidin-2-one?
5,5-dimethyl-3-piperidin-4-yl-1,3-oxazolidin-2-one has a molecular weight of 198.27 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-piperidin-4-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 68502331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).