2-(4-benzylpiperazin-1-yl)-N-[(E)-[2-hydroxy-3,5-bis(prop-2-enyl)phenyl]methylideneamino]acetamide

C26H32N4O2 — CID 135875939

IUPAC2-(4-benzylpiperazin-1-yl)-N-[(E)-[2-hydroxy-3,5-bis(prop-2-enyl)phenyl]methylideneamino]acetamide
SMILESC=CCc1cc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c(O)c(CC=C)c1
InChIInChI=1S/C26H32N4O2/c1-3-8-22-16-23(9-4-2)26(32)24(17-22)18-27-28-25(31)20-30-14-12-29(13-15-30)19-21-10-6-5-7-11-21/h3-7,10-11,16-18,32H,1-2,8-9,12-15,19-20H2,(H,28,31)/b27-18+
InChIKeyNGZIARLVPDAWGF-OVVQPSECSA-N
MW432.57 g/mol
LogP3.12
Rot. Bonds10

About 2-(4-benzylpiperazin-1-yl)-N-[(E)-[2-hydroxy-3,5-bis(prop-2-enyl)phenyl]methylideneamino]acetamide

2-(4-benzylpiperazin-1-yl)-N-[(E)-[2-hydroxy-3,5-bis(prop-2-enyl)phenyl]methylideneamino]acetamide (PubChem CID 135875939) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[(E)-[2-hydroxy-3,5-bis(prop-2-enyl)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[(E)-[2-hydroxy-3,5-bis(prop-2-enyl)phenyl]methylideneamino]acetamide
PubChem CID135875939
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[(E)-[2-hydroxy-3,5-bis(prop-2-enyl)phenyl]methylideneamino]acetamide
SMILESC=CCc1cc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c(O)c(CC=C)c1
InChIInChI=1S/C26H32N4O2/c1-3-8-22-16-23(9-4-2)26(32)24(17-22)18-27-28-25(31)20-30-14-12-29(13-15-30)19-21-10-6-5-7-11-21/h3-7,10-11,16-18,32H,1-2,8-9,12-15,19-20H2,(H,28,31)/b27-18+
InChIKeyNGZIARLVPDAWGF-OVVQPSECSA-N
XLogP3.12
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-benzylpiperazin-1-yl)-N-[(E)-[2-hydroxy-3,5-bis(prop-2-enyl)phenyl]methylideneamino]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 2-(4-benzylpiperazin-1-yl)-N-[(E)-[2-hydroxy-3,5-bis(prop-2-enyl)phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(E)-[2-hydroxy-3,5-bis(prop-2-enyl)phenyl]methylideneamino]acetamide (CID 135875939) is 2-(4-benzylpiperazin-1-yl)-N-[(E)-[2-hydroxy-3,5-bis(prop-2-enyl)phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[(E)-[2-hydroxy-3,5-bis(prop-2-enyl)phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[(E)-[2-hydroxy-3,5-bis(prop-2-enyl)phenyl]methylideneamino]acetamide is C=CCc1cc(/C=N/NC(=O)CN2CCN(Cc3ccccc3)CC2)c(O)c(CC=C)c1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[(E)-[2-hydroxy-3,5-bis(prop-2-enyl)phenyl]methylideneamino]acetamide?
The InChIKey is NGZIARLVPDAWGF-OVVQPSECSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-3-8-22-16-23(9-4-2)26(32)24(17-22)18-27-28-25(31)20-30-14-12-29(13-15-30)19-21-10-6-5-7-11-21/h3-7,10-11,16-18,32H,1-2,8-9,12-15,19-20H2,(H,28,31)/b27-18+.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[(E)-[2-hydroxy-3,5-bis(prop-2-enyl)phenyl]methylideneamino]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[(E)-[2-hydroxy-3,5-bis(prop-2-enyl)phenyl]methylideneamino]acetamide has a molecular weight of 432.57 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[(E)-[2-hydroxy-3,5-bis(prop-2-enyl)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 135875939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).