2-(3-cyano-6-oxo-4-phenylpiperidin-2-ylidene)propanedinitrile

C15H10N4O — CID 14980709

IUPAC2-(3-cyano-6-oxo-4-phenylpiperidin-2-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1NC(=O)CC(c2ccccc2)C1C#N
InChIInChI=1S/C15H10N4O/c16-7-11(8-17)15-13(9-18)12(6-14(20)19-15)10-4-2-1-3-5-10/h1-5,12-13H,6H2,(H,19,20)
InChIKeyGMSDIMGLPUOVFG-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.73
Rot. Bonds1

About 2-(3-cyano-6-oxo-4-phenylpiperidin-2-ylidene)propanedinitrile

2-(3-cyano-6-oxo-4-phenylpiperidin-2-ylidene)propanedinitrile (PubChem CID 14980709) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-(3-cyano-6-oxo-4-phenylpiperidin-2-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(3-cyano-6-oxo-4-phenylpiperidin-2-ylidene)propanedinitrile
PubChem CID14980709
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Name2-(3-cyano-6-oxo-4-phenylpiperidin-2-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1NC(=O)CC(c2ccccc2)C1C#N
InChIInChI=1S/C15H10N4O/c16-7-11(8-17)15-13(9-18)12(6-14(20)19-15)10-4-2-1-3-5-10/h1-5,12-13H,6H2,(H,19,20)
InChIKeyGMSDIMGLPUOVFG-UHFFFAOYSA-N
XLogP1.73
TPSA100.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hydroxyphenyl)-2,6-dioxopiperidine-3-carbonitrile
CID 139210665
methyl 2-methylidene-6-oxo-4-phenylpiperidine-3-carboxylate
CID 4050196
2-oxo-4-phenyloxolane-3-carbonitrile
CID 12932810
4-phenyl-3-propan-2-ylpiperidine-2,6-dione
CID 79321338
(3R,4R)-7,7-dimethyl-2,5-dioxo-4-phenyl-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 910627
(4R,5R)-5-ethyl-4-phenylpiperidin-2-one
CID 101133780
(3S,4R)-5,5-dimethyl-2,6-dioxo-4-phenylpiperidine-3-carbonitrile
CID 7347371
trans-(1R,2S)-2-phenylcyclopropane-1-carbonitrile
CID 6427548
7,7-dimethyl-5-oxo-4-phenyl-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 3004976
5-amino-4,6-diphenylpiperidin-2-one
CID 19012812
(5S,6R)-5,6-diphenylpiperidin-2-one
CID 67807202
ethane;(3R)-3-phenylpyrrolidine-2,5-dione
CID 91585654

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-6-oxo-4-phenylpiperidin-2-ylidene)propanedinitrile?
The IUPAC name of 2-(3-cyano-6-oxo-4-phenylpiperidin-2-ylidene)propanedinitrile (CID 14980709) is 2-(3-cyano-6-oxo-4-phenylpiperidin-2-ylidene)propanedinitrile.
What is the SMILES notation for 2-(3-cyano-6-oxo-4-phenylpiperidin-2-ylidene)propanedinitrile?
The canonical SMILES for 2-(3-cyano-6-oxo-4-phenylpiperidin-2-ylidene)propanedinitrile is N#CC(C#N)=C1NC(=O)CC(c2ccccc2)C1C#N.
What is the InChIKey of 2-(3-cyano-6-oxo-4-phenylpiperidin-2-ylidene)propanedinitrile?
The InChIKey is GMSDIMGLPUOVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c16-7-11(8-17)15-13(9-18)12(6-14(20)19-15)10-4-2-1-3-5-10/h1-5,12-13H,6H2,(H,19,20).
What are the key properties of 2-(3-cyano-6-oxo-4-phenylpiperidin-2-ylidene)propanedinitrile?
2-(3-cyano-6-oxo-4-phenylpiperidin-2-ylidene)propanedinitrile has a molecular weight of 262.27 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-6-oxo-4-phenylpiperidin-2-ylidene)propanedinitrile is sourced from PubChem (CID 14980709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).