N'-[2-(4-benzylpiperazin-1-yl)acetyl]-4-chlorobenzohydrazide

C20H23ClN4O2 — CID 2653894

IUPACN'-[2-(4-benzylpiperazin-1-yl)acetyl]-4-chlorobenzohydrazide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN4O2/c21-18-8-6-17(7-9-18)20(27)23-22-19(26)15-25-12-10-24(11-13-25)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,22,26)(H,23,27)
InChIKeyYIYGMEHLQCNWTA-UHFFFAOYSA-N
MW386.88 g/mol
LogP1.92
Rot. Bonds5

About N'-[2-(4-benzylpiperazin-1-yl)acetyl]-4-chlorobenzohydrazide

N'-[2-(4-benzylpiperazin-1-yl)acetyl]-4-chlorobenzohydrazide (PubChem CID 2653894) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is N'-[2-(4-benzylpiperazin-1-yl)acetyl]-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-benzylpiperazin-1-yl)acetyl]-4-chlorobenzohydrazide
PubChem CID2653894
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC NameN'-[2-(4-benzylpiperazin-1-yl)acetyl]-4-chlorobenzohydrazide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN4O2/c21-18-8-6-17(7-9-18)20(27)23-22-19(26)15-25-12-10-24(11-13-25)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,22,26)(H,23,27)
InChIKeyYIYGMEHLQCNWTA-UHFFFAOYSA-N
XLogP1.92
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-(4-benzylpiperazin-1-yl)acetyl]-4-chlorobenzohydrazide 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'-[2-(4-benzylpiperazin-1-yl)acetyl]-4-chlorobenzohydrazide?
The IUPAC name of N'-[2-(4-benzylpiperazin-1-yl)acetyl]-4-chlorobenzohydrazide (CID 2653894) is N'-[2-(4-benzylpiperazin-1-yl)acetyl]-4-chlorobenzohydrazide.
What is the SMILES notation for N'-[2-(4-benzylpiperazin-1-yl)acetyl]-4-chlorobenzohydrazide?
The canonical SMILES for N'-[2-(4-benzylpiperazin-1-yl)acetyl]-4-chlorobenzohydrazide is O=C(CN1CCN(Cc2ccccc2)CC1)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-benzylpiperazin-1-yl)acetyl]-4-chlorobenzohydrazide?
The InChIKey is YIYGMEHLQCNWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c21-18-8-6-17(7-9-18)20(27)23-22-19(26)15-25-12-10-24(11-13-25)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H,22,26)(H,23,27).
What are the key properties of N'-[2-(4-benzylpiperazin-1-yl)acetyl]-4-chlorobenzohydrazide?
N'-[2-(4-benzylpiperazin-1-yl)acetyl]-4-chlorobenzohydrazide has a molecular weight of 386.88 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-benzylpiperazin-1-yl)acetyl]-4-chlorobenzohydrazide is sourced from PubChem (CID 2653894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).