2-(5-piperidin-4-ylpentyl)-1,2-oxazolidin-3-one

C13H24N2O2 — CID 146627391

IUPAC2-(5-piperidin-4-ylpentyl)-1,2-oxazolidin-3-one
SMILESO=C1CCON1CCCCCC1CCNCC1
InChIInChI=1S/C13H24N2O2/c16-13-7-11-17-15(13)10-3-1-2-4-12-5-8-14-9-6-12/h12,14H,1-11H2
InChIKeyXVTIBQVEHQJDAG-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.71
Rot. Bonds6

About 2-(5-piperidin-4-ylpentyl)-1,2-oxazolidin-3-one

2-(5-piperidin-4-ylpentyl)-1,2-oxazolidin-3-one (PubChem CID 146627391) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(5-piperidin-4-ylpentyl)-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-(5-piperidin-4-ylpentyl)-1,2-oxazolidin-3-one
PubChem CID146627391
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(5-piperidin-4-ylpentyl)-1,2-oxazolidin-3-one
SMILESO=C1CCON1CCCCCC1CCNCC1
InChIInChI=1S/C13H24N2O2/c16-13-7-11-17-15(13)10-3-1-2-4-12-5-8-14-9-6-12/h12,14H,1-11H2
InChIKeyXVTIBQVEHQJDAG-UHFFFAOYSA-N
XLogP1.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-piperidin-4-ylpentyl)-1,2-oxazolidin-3-one?
The IUPAC name of 2-(5-piperidin-4-ylpentyl)-1,2-oxazolidin-3-one (CID 146627391) is 2-(5-piperidin-4-ylpentyl)-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-(5-piperidin-4-ylpentyl)-1,2-oxazolidin-3-one?
The canonical SMILES for 2-(5-piperidin-4-ylpentyl)-1,2-oxazolidin-3-one is O=C1CCON1CCCCCC1CCNCC1.
What is the InChIKey of 2-(5-piperidin-4-ylpentyl)-1,2-oxazolidin-3-one?
The InChIKey is XVTIBQVEHQJDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c16-13-7-11-17-15(13)10-3-1-2-4-12-5-8-14-9-6-12/h12,14H,1-11H2.
What are the key properties of 2-(5-piperidin-4-ylpentyl)-1,2-oxazolidin-3-one?
2-(5-piperidin-4-ylpentyl)-1,2-oxazolidin-3-one has a molecular weight of 240.35 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperidin-4-ylpentyl)-1,2-oxazolidin-3-one is sourced from PubChem (CID 146627391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).