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

C14H22N2O4 — CID 3857390

IUPAC3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESC=CCOCCC(=O)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C14H22N2O4/c1-2-9-19-10-5-13(17)15-6-3-12(4-7-15)16-8-11-20-14(16)18/h2,12H,1,3-11H2
InChIKeyGYFIEKDEFABSFM-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.02
Rot. Bonds6

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

3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3857390) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3857390
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESC=CCOCCC(=O)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C14H22N2O4/c1-2-9-19-10-5-13(17)15-6-3-12(4-7-15)16-8-11-20-14(16)18/h2,12H,1,3-11H2
InChIKeyGYFIEKDEFABSFM-UHFFFAOYSA-N
XLogP1.02
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.02
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 3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3857390) is 3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one is C=CCOCCC(=O)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of 3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is GYFIEKDEFABSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-2-9-19-10-5-13(17)15-6-3-12(4-7-15)16-8-11-20-14(16)18/h2,12H,1,3-11H2.
What are the key properties of 3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 282.34 g/mol, XLogP of 1.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3857390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).