2-[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]amino]benzonitrile

C22H24N4O — CID 109004597

IUPAC2-[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]amino]benzonitrile
SMILESN#Cc1ccccc1NCC(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H24N4O/c23-17-20-10-4-5-11-21(20)24-18-22(27)26-15-13-25(14-16-26)12-6-9-19-7-2-1-3-8-19/h1-11,24H,12-16,18H2/b9-6+
InChIKeySKIGZBBOYCPAGB-RMKNXTFCSA-N
MW360.46 g/mol
LogP2.83
Rot. Bonds6

About 2-[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]amino]benzonitrile

2-[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]amino]benzonitrile (PubChem CID 109004597) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]amino]benzonitrile
PubChem CID109004597
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]amino]benzonitrile
SMILESN#Cc1ccccc1NCC(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H24N4O/c23-17-20-10-4-5-11-21(20)24-18-22(27)26-15-13-25(14-16-26)12-6-9-19-7-2-1-3-8-19/h1-11,24H,12-16,18H2/b9-6+
InChIKeySKIGZBBOYCPAGB-RMKNXTFCSA-N
XLogP2.83
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]amino]benzonitrile with MolForge

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Related Compounds

2-(2-methylanilino)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 109004538
2-(2-ethoxyanilino)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 109004575
methyl 2-[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]amino]benzoate
CID 109004587
2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 28580921
2-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethoxy]benzonitrile
CID 4885426
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzonitrile
CID 18104688
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]benzonitrile
CID 2435532
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]propane-1-sulfonamide
CID 112994586
3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
CID 71393433

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]amino]benzonitrile?
The IUPAC name of 2-[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]amino]benzonitrile (CID 109004597) is 2-[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]amino]benzonitrile.
What is the SMILES notation for 2-[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]amino]benzonitrile?
The canonical SMILES for 2-[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]amino]benzonitrile is N#Cc1ccccc1NCC(=O)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 2-[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]amino]benzonitrile?
The InChIKey is SKIGZBBOYCPAGB-RMKNXTFCSA-N. The full InChI is InChI=1S/C22H24N4O/c23-17-20-10-4-5-11-21(20)24-18-22(27)26-15-13-25(14-16-26)12-6-9-19-7-2-1-3-8-19/h1-11,24H,12-16,18H2/b9-6+.
What are the key properties of 2-[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]amino]benzonitrile?
2-[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]amino]benzonitrile has a molecular weight of 360.46 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]amino]benzonitrile is sourced from PubChem (CID 109004597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).