(3E)-5-phenyl-3-(piperidin-1-ylmethylidene)furan-2-one

C16H17NO2 — CID 6004151

IUPAC(3E)-5-phenyl-3-(piperidin-1-ylmethylidene)furan-2-one
SMILESO=C1OC(c2ccccc2)=C/C1=C\N1CCCCC1
InChIInChI=1S/C16H17NO2/c18-16-14(12-17-9-5-2-6-10-17)11-15(19-16)13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2/b14-12+
InChIKeyITRRGNBLUOEBKF-WYMLVPIESA-N
MW255.32 g/mol
LogP2.95
Rot. Bonds2

About (3E)-5-phenyl-3-(piperidin-1-ylmethylidene)furan-2-one

(3E)-5-phenyl-3-(piperidin-1-ylmethylidene)furan-2-one (PubChem CID 6004151) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (3E)-5-phenyl-3-(piperidin-1-ylmethylidene)furan-2-one.

Molecular Properties

Compound Name(3E)-5-phenyl-3-(piperidin-1-ylmethylidene)furan-2-one
PubChem CID6004151
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(3E)-5-phenyl-3-(piperidin-1-ylmethylidene)furan-2-one
SMILESO=C1OC(c2ccccc2)=C/C1=C\N1CCCCC1
InChIInChI=1S/C16H17NO2/c18-16-14(12-17-9-5-2-6-10-17)11-15(19-16)13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2/b14-12+
InChIKeyITRRGNBLUOEBKF-WYMLVPIESA-N
XLogP2.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3E)-5-phenyl-3-(piperidin-1-ylmethylidene)furan-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 (3E)-5-phenyl-3-(piperidin-1-ylmethylidene)furan-2-one?
The IUPAC name of (3E)-5-phenyl-3-(piperidin-1-ylmethylidene)furan-2-one (CID 6004151) is (3E)-5-phenyl-3-(piperidin-1-ylmethylidene)furan-2-one.
What is the SMILES notation for (3E)-5-phenyl-3-(piperidin-1-ylmethylidene)furan-2-one?
The canonical SMILES for (3E)-5-phenyl-3-(piperidin-1-ylmethylidene)furan-2-one is O=C1OC(c2ccccc2)=C/C1=C\N1CCCCC1.
What is the InChIKey of (3E)-5-phenyl-3-(piperidin-1-ylmethylidene)furan-2-one?
The InChIKey is ITRRGNBLUOEBKF-WYMLVPIESA-N. The full InChI is InChI=1S/C16H17NO2/c18-16-14(12-17-9-5-2-6-10-17)11-15(19-16)13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2/b14-12+.
What are the key properties of (3E)-5-phenyl-3-(piperidin-1-ylmethylidene)furan-2-one?
(3E)-5-phenyl-3-(piperidin-1-ylmethylidene)furan-2-one has a molecular weight of 255.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-phenyl-3-(piperidin-1-ylmethylidene)furan-2-one is sourced from PubChem (CID 6004151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).