N-[(4-chlorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

C22H26ClN3O — CID 2608363

IUPACN-[(4-chlorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C/C=C/c2ccccc2)CC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN3O/c23-21-10-8-20(9-11-21)17-24-22(27)18-26-15-13-25(14-16-26)12-4-7-19-5-2-1-3-6-19/h1-11H,12-18H2,(H,24,27)/b7-4+
InChIKeyIPBLVALFFYHBMB-QPJJXVBHSA-N
MW383.92 g/mol
LogP3.29
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

N-[(4-chlorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (PubChem CID 2608363) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
PubChem CID2608363
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C/C=C/c2ccccc2)CC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN3O/c23-21-10-8-20(9-11-21)17-24-22(27)18-26-15-13-25(14-16-26)12-4-7-19-5-2-1-3-6-19/h1-11H,12-18H2,(H,24,27)/b7-4+
InChIKeyIPBLVALFFYHBMB-QPJJXVBHSA-N
XLogP3.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide 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 N-[(4-chlorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (CID 2608363) is N-[(4-chlorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C/C=C/c2ccccc2)CC1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The InChIKey is IPBLVALFFYHBMB-QPJJXVBHSA-N. The full InChI is InChI=1S/C22H26ClN3O/c23-21-10-8-20(9-11-21)17-24-22(27)18-26-15-13-25(14-16-26)12-4-7-19-5-2-1-3-6-19/h1-11H,12-18H2,(H,24,27)/b7-4+.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide has a molecular weight of 383.92 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 2608363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).