2-cyano-N-[4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]acetamide

C22H22N4O2 — CID 168522760

IUPAC2-cyano-N-[4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(N2CCN(C(=O)C=Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H22N4O2/c23-13-12-21(27)24-19-7-9-20(10-8-19)25-14-16-26(17-15-25)22(28)11-6-18-4-2-1-3-5-18/h1-11H,12,14-17H2,(H,24,27)
InChIKeyJQJOHCQSQICASE-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.90
Rot. Bonds5

About 2-cyano-N-[4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]acetamide

2-cyano-N-[4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]acetamide (PubChem CID 168522760) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-cyano-N-[4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]acetamide
PubChem CID168522760
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-cyano-N-[4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(N2CCN(C(=O)C=Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H22N4O2/c23-13-12-21(27)24-19-7-9-20(10-8-19)25-14-16-26(17-15-25)22(28)11-6-18-4-2-1-3-5-18/h1-11H,12,14-17H2,(H,24,27)
InChIKeyJQJOHCQSQICASE-UHFFFAOYSA-N
XLogP2.90
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-cyano-N-[4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]benzamide
CID 71951918
N-hydroxy-3-[4-[3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-enyl]phenyl]prop-2-enamide
CID 75068138
N-[4-(4-acetyl-1,4-diazepan-1-yl)phenyl]-2-cyanoacetamide
CID 168521277
4-phenyl-N-[[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 43913925
N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-propoxybenzamide
CID 17050493
2-(4-chloro-3-methylphenoxy)-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]acetamide
CID 17358425
(E)-3-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)prop-2-en-1-one
CID 9048300
(E)-3-(4-bromophenyl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
CID 6014172
2-cyano-N-[4-(4-propylpiperazin-1-yl)phenyl]acetamide
CID 168522189
(E)-3-phenyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 17050019
5-(4-chlorophenyl)-N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]furan-2-carboxamide
CID 17358518
2-methyl-3-nitro-N-[4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]benzamide
CID 71951924

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]acetamide (CID 168522760) is 2-cyano-N-[4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]acetamide is N#CCC(=O)Nc1ccc(N2CCN(C(=O)C=Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-cyano-N-[4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]acetamide?
The InChIKey is JQJOHCQSQICASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c23-13-12-21(27)24-19-7-9-20(10-8-19)25-14-16-26(17-15-25)22(28)11-6-18-4-2-1-3-5-18/h1-11H,12,14-17H2,(H,24,27).
What are the key properties of 2-cyano-N-[4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]acetamide?
2-cyano-N-[4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]acetamide has a molecular weight of 374.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-[4-(3-phenylprop-2-enoyl)piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 168522760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).