N-(2-diazenylphenyl)-4-phenylpiperazine-1-carboxamide

C17H19N5O — CID 130450356

IUPACN-(2-diazenylphenyl)-4-phenylpiperazine-1-carboxamide
SMILES[H]/N=N/c1ccccc1NC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19N5O/c18-20-16-9-5-4-8-15(16)19-17(23)22-12-10-21(11-13-22)14-6-2-1-3-7-14/h1-9,18H,10-13H2,(H,19,23)/b20-18+
InChIKeyHBPADGAFIGQVSE-CZIZESTLSA-N
MW309.37 g/mol
LogP3.70
Rot. Bonds3

About N-(2-diazenylphenyl)-4-phenylpiperazine-1-carboxamide

N-(2-diazenylphenyl)-4-phenylpiperazine-1-carboxamide (PubChem CID 130450356) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(2-diazenylphenyl)-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-diazenylphenyl)-4-phenylpiperazine-1-carboxamide
PubChem CID130450356
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-(2-diazenylphenyl)-4-phenylpiperazine-1-carboxamide
SMILES[H]/N=N/c1ccccc1NC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19N5O/c18-20-16-9-5-4-8-15(16)19-17(23)22-12-10-21(11-13-22)14-6-2-1-3-7-14/h1-9,18H,10-13H2,(H,19,23)/b20-18+
InChIKeyHBPADGAFIGQVSE-CZIZESTLSA-N
XLogP3.70
TPSA71.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-(2-diazenylphenyl)-4-phenylpiperazine-1-carboxamide 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

N-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108871577
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
N-(1H-indol-3-yl)-4-phenylpiperazine-1-carboxamide
CID 7595792
N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111145
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86987118
N-(2-hydroxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108514381
4-(4-methoxyphenyl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6460818
4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112737
4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 86987085
N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide
CID 108896638

Frequently Asked Questions

What is the IUPAC name of N-(2-diazenylphenyl)-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(2-diazenylphenyl)-4-phenylpiperazine-1-carboxamide (CID 130450356) is N-(2-diazenylphenyl)-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-diazenylphenyl)-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-diazenylphenyl)-4-phenylpiperazine-1-carboxamide is [H]/N=N/c1ccccc1NC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(2-diazenylphenyl)-4-phenylpiperazine-1-carboxamide?
The InChIKey is HBPADGAFIGQVSE-CZIZESTLSA-N. The full InChI is InChI=1S/C17H19N5O/c18-20-16-9-5-4-8-15(16)19-17(23)22-12-10-21(11-13-22)14-6-2-1-3-7-14/h1-9,18H,10-13H2,(H,19,23)/b20-18+.
What are the key properties of N-(2-diazenylphenyl)-4-phenylpiperazine-1-carboxamide?
N-(2-diazenylphenyl)-4-phenylpiperazine-1-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diazenylphenyl)-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 130450356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).