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

C15H24N2O4 — CID 3785042

IUPAC3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazinan-2-one
SMILESC=CCOCCC(=O)N1CCC(N2CCCOC2=O)CC1
InChIInChI=1S/C15H24N2O4/c1-2-10-20-12-6-14(18)16-8-4-13(5-9-16)17-7-3-11-21-15(17)19/h2,13H,1,3-12H2
InChIKeyCKVQJHUASMIOFN-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.41
Rot. Bonds6

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

3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazinan-2-one (PubChem CID 3785042) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazinan-2-one
PubChem CID3785042
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazinan-2-one
SMILESC=CCOCCC(=O)N1CCC(N2CCCOC2=O)CC1
InChIInChI=1S/C15H24N2O4/c1-2-10-20-12-6-14(18)16-8-4-13(5-9-16)17-7-3-11-21-15(17)19/h2,13H,1,3-12H2
InChIKeyCKVQJHUASMIOFN-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'}

Analyze 3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazinan-2-one (CID 3785042) is 3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazinan-2-one is C=CCOCCC(=O)N1CCC(N2CCCOC2=O)CC1.
What is the InChIKey of 3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazinan-2-one?
The InChIKey is CKVQJHUASMIOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-2-10-20-12-6-14(18)16-8-4-13(5-9-16)17-7-3-11-21-15(17)19/h2,13H,1,3-12H2.
What are the key properties of 3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazinan-2-one?
3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazinan-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 3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazinan-2-one is sourced from PubChem (CID 3785042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).