1-(oxan-4-yl)-4-prop-2-enoylpiperazin-2-one

C12H18N2O3 — CID 139017243

IUPAC1-(oxan-4-yl)-4-prop-2-enoylpiperazin-2-one
SMILESC=CC(=O)N1CCN(C2CCOCC2)C(=O)C1
InChIInChI=1S/C12H18N2O3/c1-2-11(15)13-5-6-14(12(16)9-13)10-3-7-17-8-4-10/h2,10H,1,3-9H2
InChIKeyOYUGSVNJVWAANI-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.02
Rot. Bonds2

About 1-(oxan-4-yl)-4-prop-2-enoylpiperazin-2-one

1-(oxan-4-yl)-4-prop-2-enoylpiperazin-2-one (PubChem CID 139017243) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(oxan-4-yl)-4-prop-2-enoylpiperazin-2-one.

Molecular Properties

Compound Name1-(oxan-4-yl)-4-prop-2-enoylpiperazin-2-one
PubChem CID139017243
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(oxan-4-yl)-4-prop-2-enoylpiperazin-2-one
SMILESC=CC(=O)N1CCN(C2CCOCC2)C(=O)C1
InChIInChI=1S/C12H18N2O3/c1-2-11(15)13-5-6-14(12(16)9-13)10-3-7-17-8-4-10/h2,10H,1,3-9H2
InChIKeyOYUGSVNJVWAANI-UHFFFAOYSA-N
XLogP0.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(oxan-4-yl)-4-prop-2-enoylpiperazin-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 1-(oxan-4-yl)-4-prop-2-enoylpiperazin-2-one?
The IUPAC name of 1-(oxan-4-yl)-4-prop-2-enoylpiperazin-2-one (CID 139017243) is 1-(oxan-4-yl)-4-prop-2-enoylpiperazin-2-one.
What is the SMILES notation for 1-(oxan-4-yl)-4-prop-2-enoylpiperazin-2-one?
The canonical SMILES for 1-(oxan-4-yl)-4-prop-2-enoylpiperazin-2-one is C=CC(=O)N1CCN(C2CCOCC2)C(=O)C1.
What is the InChIKey of 1-(oxan-4-yl)-4-prop-2-enoylpiperazin-2-one?
The InChIKey is OYUGSVNJVWAANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-11(15)13-5-6-14(12(16)9-13)10-3-7-17-8-4-10/h2,10H,1,3-9H2.
What are the key properties of 1-(oxan-4-yl)-4-prop-2-enoylpiperazin-2-one?
1-(oxan-4-yl)-4-prop-2-enoylpiperazin-2-one has a molecular weight of 238.29 g/mol, XLogP of 0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-4-prop-2-enoylpiperazin-2-one is sourced from PubChem (CID 139017243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).