(2-oxo-2-piperidin-1-ylethyl) (E)-3-(furan-2-yl)prop-2-enoate

C14H17NO4 — CID 2371620

IUPAC(2-oxo-2-piperidin-1-ylethyl) (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(/C=C/c1ccco1)OCC(=O)N1CCCCC1
InChIInChI=1S/C14H17NO4/c16-13(15-8-2-1-3-9-15)11-19-14(17)7-6-12-5-4-10-18-12/h4-7,10H,1-3,8-9,11H2/b7-6+
InChIKeyGOVRMLKQLRLCOI-VOTSOKGWSA-N
MW263.29 g/mol
LogP1.85
Rot. Bonds4

About (2-oxo-2-piperidin-1-ylethyl) (E)-3-(furan-2-yl)prop-2-enoate

(2-oxo-2-piperidin-1-ylethyl) (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 2371620) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID2371620
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(/C=C/c1ccco1)OCC(=O)N1CCCCC1
InChIInChI=1S/C14H17NO4/c16-13(15-8-2-1-3-9-15)11-19-14(17)7-6-12-5-4-10-18-12/h4-7,10H,1-3,8-9,11H2/b7-6+
InChIKeyGOVRMLKQLRLCOI-VOTSOKGWSA-N
XLogP1.85
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-oxo-2-piperidin-1-ylethyl) (E)-3-(furan-2-yl)prop-2-enoate 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 (2-oxo-2-piperidin-1-ylethyl) (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) (E)-3-(furan-2-yl)prop-2-enoate (CID 2371620) is (2-oxo-2-piperidin-1-ylethyl) (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) (E)-3-(furan-2-yl)prop-2-enoate is O=C(/C=C/c1ccco1)OCC(=O)N1CCCCC1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is GOVRMLKQLRLCOI-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H17NO4/c16-13(15-8-2-1-3-9-15)11-19-14(17)7-6-12-5-4-10-18-12/h4-7,10H,1-3,8-9,11H2/b7-6+.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) (E)-3-(furan-2-yl)prop-2-enoate?
(2-oxo-2-piperidin-1-ylethyl) (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 263.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 2371620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).