2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]acetamide

C23H27ClN4O — CID 6761601

IUPAC2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
SMILESCC(=Cc1ccccc1)/C=N\NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H27ClN4O/c1-19(15-20-5-3-2-4-6-20)16-25-26-23(29)18-28-13-11-27(12-14-28)17-21-7-9-22(24)10-8-21/h2-10,15-16H,11-14,17-18H2,1H3,(H,26,29)/b19-15?,25-16-
InChIKeyRTKWUGJBKPIKNR-CZQAIAMLSA-N
MW410.95 g/mol
LogP3.66
Rot. Bonds7

About 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]acetamide

2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]acetamide (PubChem CID 6761601) has the molecular formula C23H27ClN4O and a molecular weight of 410.95 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
PubChem CID6761601
Molecular FormulaC23H27ClN4O
Molecular Weight410.95 g/mol
Exact Mass410.19
IUPAC Name2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
SMILESCC(=Cc1ccccc1)/C=N\NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H27ClN4O/c1-19(15-20-5-3-2-4-6-20)16-25-26-23(29)18-28-13-11-27(12-14-28)17-21-7-9-22(24)10-8-21/h2-10,15-16H,11-14,17-18H2,1H3,(H,26,29)/b19-15?,25-16-
InChIKeyRTKWUGJBKPIKNR-CZQAIAMLSA-N
XLogP3.66
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]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

2-(4-benzylpiperazin-1-yl)-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide
CID 1185547
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(2-methylphenyl)methylideneamino]acetamide
CID 1383048
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(2-chloro-3-phenylprop-2-enylidene)amino]acetamide
CID 4300448
N-[(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 1386479
N-[(E)-(2-bromophenyl)methylideneamino]-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 6865451
2-(4-benzylpiperazin-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 3714192
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
CID 6868355
1-[(4-chlorophenyl)methyl]-N-[(Z)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]piperidine-4-carboxamide
CID 40822125
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4-dichlorophenyl)methylideneamino]acetamide
CID 1383029
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 6885338
2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6885499
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]acetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]acetamide (CID 6761601) is 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]acetamide is CC(=Cc1ccccc1)/C=N\NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]acetamide?
The InChIKey is RTKWUGJBKPIKNR-CZQAIAMLSA-N. The full InChI is InChI=1S/C23H27ClN4O/c1-19(15-20-5-3-2-4-6-20)16-25-26-23(29)18-28-13-11-27(12-14-28)17-21-7-9-22(24)10-8-21/h2-10,15-16H,11-14,17-18H2,1H3,(H,26,29)/b19-15?,25-16-.
What are the key properties of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]acetamide?
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]acetamide has a molecular weight of 410.95 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(Z)-(2-methyl-3-phenylprop-2-enylidene)amino]acetamide is sourced from PubChem (CID 6761601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).