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

C16H26N2O4 — CID 3539300

IUPAC5-ethyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESC=CCOCCC(=O)N1CCC(N2CC(CC)OC2=O)CC1
InChIInChI=1S/C16H26N2O4/c1-3-10-21-11-7-15(19)17-8-5-13(6-9-17)18-12-14(4-2)22-16(18)20/h3,13-14H,1,4-12H2,2H3
InChIKeyFLPZYXZIBMWWPW-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.80
Rot. Bonds7

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

5-ethyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3539300) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is 5-ethyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-ethyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3539300
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Name5-ethyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESC=CCOCCC(=O)N1CCC(N2CC(CC)OC2=O)CC1
InChIInChI=1S/C16H26N2O4/c1-3-10-21-11-7-15(19)17-8-5-13(6-9-17)18-12-14(4-2)22-16(18)20/h3,13-14H,1,4-12H2,2H3
InChIKeyFLPZYXZIBMWWPW-UHFFFAOYSA-N
XLogP1.80
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.80
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-ethyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-ethyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3539300) is 5-ethyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-ethyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-ethyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one is C=CCOCCC(=O)N1CCC(N2CC(CC)OC2=O)CC1.
What is the InChIKey of 5-ethyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is FLPZYXZIBMWWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-3-10-21-11-7-15(19)17-8-5-13(6-9-17)18-12-14(4-2)22-16(18)20/h3,13-14H,1,4-12H2,2H3.
What are the key properties of 5-ethyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
5-ethyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 310.39 g/mol, XLogP of 1.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3539300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).