5-methyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C15H24N2O4 — CID 3516732

IUPAC5-methyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESC=CCOCCC(=O)N1CCC(N2CC(C)OC2=O)CC1
InChIInChI=1S/C15H24N2O4/c1-3-9-20-10-6-14(18)16-7-4-13(5-8-16)17-11-12(2)21-15(17)19/h3,12-13H,1,4-11H2,2H3
InChIKeyOOHKPUIOFYQXAO-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.41
Rot. Bonds6

About 5-methyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one

5-methyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3516732) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-methyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3516732
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name5-methyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESC=CCOCCC(=O)N1CCC(N2CC(C)OC2=O)CC1
InChIInChI=1S/C15H24N2O4/c1-3-9-20-10-6-14(18)16-7-4-13(5-8-16)17-11-12(2)21-15(17)19/h3,12-13H,1,4-11H2,2H3
InChIKeyOOHKPUIOFYQXAO-UHFFFAOYSA-N
XLogP1.41
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-methyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3516732) is 5-methyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one is C=CCOCCC(=O)N1CCC(N2CC(C)OC2=O)CC1.
What is the InChIKey of 5-methyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is OOHKPUIOFYQXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-3-9-20-10-6-14(18)16-7-4-13(5-8-16)17-11-12(2)21-15(17)19/h3,12-13H,1,4-11H2,2H3.
What are the key properties of 5-methyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
5-methyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 296.37 g/mol, XLogP of 1.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3516732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).