2-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethoxy]benzonitrile

C22H23N3O2 — CID 4885426

IUPAC2-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(=O)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C22H23N3O2/c23-17-20-10-4-5-11-21(20)27-18-22(26)25-15-13-24(14-16-25)12-6-9-19-7-2-1-3-8-19/h1-11H,12-16,18H2
InChIKeyIVJMOPRKYIFVQB-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.79
Rot. Bonds6

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

2-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethoxy]benzonitrile (PubChem CID 4885426) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethoxy]benzonitrile
PubChem CID4885426
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(=O)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C22H23N3O2/c23-17-20-10-4-5-11-21(20)27-18-22(26)25-15-13-24(14-16-25)12-6-9-19-7-2-1-3-8-19/h1-11H,12-16,18H2
InChIKeyIVJMOPRKYIFVQB-UHFFFAOYSA-N
XLogP2.79
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethoxy]benzonitrile
CID 2435532
2-(2-fluorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 112977261
2-[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]amino]benzonitrile
CID 109004597
2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile
CID 2634554
2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]benzonitrile
CID 2707510
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzonitrile
CID 18104688
2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 110498326
2-(3-ethoxyphenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 112977748
2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethoxy]benzonitrile
CID 51165264
2-(2-cyanophenoxy)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 75407306
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
2-[2-oxo-2-(1,4-thiazepan-4-yl)ethoxy]benzonitrile
CID 56813489

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethoxy]benzonitrile?
The IUPAC name of 2-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethoxy]benzonitrile (CID 4885426) is 2-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethoxy]benzonitrile?
The canonical SMILES for 2-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethoxy]benzonitrile is N#Cc1ccccc1OCC(=O)N1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 2-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethoxy]benzonitrile?
The InChIKey is IVJMOPRKYIFVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c23-17-20-10-4-5-11-21(20)27-18-22(26)25-15-13-24(14-16-25)12-6-9-19-7-2-1-3-8-19/h1-11H,12-16,18H2.
What are the key properties of 2-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethoxy]benzonitrile?
2-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethoxy]benzonitrile has a molecular weight of 361.45 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethoxy]benzonitrile is sourced from PubChem (CID 4885426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).