(Z)-N-(1-amino-2-phenylethylidene)-4-imino-4-piperazin-1-ylbut-2-enimidamide

C16H22N6 — CID 162386622

IUPAC(Z)-N-(1-amino-2-phenylethylidene)-4-imino-4-piperazin-1-ylbut-2-enimidamide
SMILES[H]/N=C(/C=C\C(=N\[H])N1CCNCC1)\N=C(/N)Cc1ccccc1
InChIInChI=1S/C16H22N6/c17-14(6-7-16(19)22-10-8-20-9-11-22)21-15(18)12-13-4-2-1-3-5-13/h1-7,19-20H,8-12H2,(H3,17,18,21)/b7-6-,19-16-
InChIKeyVNAVGZFMAMDXLK-KBTJWKCSSA-N
MW298.39 g/mol
LogP1.00
Rot. Bonds4

About (Z)-N-(1-amino-2-phenylethylidene)-4-imino-4-piperazin-1-ylbut-2-enimidamide

(Z)-N-(1-amino-2-phenylethylidene)-4-imino-4-piperazin-1-ylbut-2-enimidamide (PubChem CID 162386622) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is (Z)-N-(1-amino-2-phenylethylidene)-4-imino-4-piperazin-1-ylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-(1-amino-2-phenylethylidene)-4-imino-4-piperazin-1-ylbut-2-enimidamide
PubChem CID162386622
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name(Z)-N-(1-amino-2-phenylethylidene)-4-imino-4-piperazin-1-ylbut-2-enimidamide
SMILES[H]/N=C(/C=C\C(=N\[H])N1CCNCC1)\N=C(/N)Cc1ccccc1
InChIInChI=1S/C16H22N6/c17-14(6-7-16(19)22-10-8-20-9-11-22)21-15(18)12-13-4-2-1-3-5-13/h1-7,19-20H,8-12H2,(H3,17,18,21)/b7-6-,19-16-
InChIKeyVNAVGZFMAMDXLK-KBTJWKCSSA-N
XLogP1.00
TPSA101.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (Z)-N-(1-amino-2-phenylethylidene)-4-imino-4-piperazin-1-ylbut-2-enimidamide 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-phenyl-1-pyrrolidin-1-ylethanimine
CID 54561938
(Z)-1-piperazin-1-ylhex-2-en-1-imine
CID 176921342
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
1-phenyl-4-piperazin-1-ylbut-3-en-2-one
CID 71071911
1-[(Z)-2-benzylbut-2-enyl]piperazine
CID 22628674
2-phenylethanimidamide
CID 27787
2-benzyl-1-piperazin-1-ylprop-2-en-1-one;hydrochloride
CID 89249533
benzyl formate;piperazine-1-carbothioamide
CID 157433611
N'-hydroxy-2-phenylethanimidamide
CID 6074309
(4R)-2,4-dihydroxy-5-oxo-4-[(2-phenylacetyl)amino]-5-piperazin-1-ylpentanamide
CID 67939303
2-amino-2-(2-phenylethanimidoyl)iminoacetic acid
CID 174082835
2-phenylethanedithioic acid;piperazine
CID 175289365

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-amino-2-phenylethylidene)-4-imino-4-piperazin-1-ylbut-2-enimidamide?
The IUPAC name of (Z)-N-(1-amino-2-phenylethylidene)-4-imino-4-piperazin-1-ylbut-2-enimidamide (CID 162386622) is (Z)-N-(1-amino-2-phenylethylidene)-4-imino-4-piperazin-1-ylbut-2-enimidamide.
What is the SMILES notation for (Z)-N-(1-amino-2-phenylethylidene)-4-imino-4-piperazin-1-ylbut-2-enimidamide?
The canonical SMILES for (Z)-N-(1-amino-2-phenylethylidene)-4-imino-4-piperazin-1-ylbut-2-enimidamide is [H]/N=C(/C=C\C(=N\[H])N1CCNCC1)\N=C(/N)Cc1ccccc1.
What is the InChIKey of (Z)-N-(1-amino-2-phenylethylidene)-4-imino-4-piperazin-1-ylbut-2-enimidamide?
The InChIKey is VNAVGZFMAMDXLK-KBTJWKCSSA-N. The full InChI is InChI=1S/C16H22N6/c17-14(6-7-16(19)22-10-8-20-9-11-22)21-15(18)12-13-4-2-1-3-5-13/h1-7,19-20H,8-12H2,(H3,17,18,21)/b7-6-,19-16-.
What are the key properties of (Z)-N-(1-amino-2-phenylethylidene)-4-imino-4-piperazin-1-ylbut-2-enimidamide?
(Z)-N-(1-amino-2-phenylethylidene)-4-imino-4-piperazin-1-ylbut-2-enimidamide has a molecular weight of 298.39 g/mol, XLogP of 1.00, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-amino-2-phenylethylidene)-4-imino-4-piperazin-1-ylbut-2-enimidamide is sourced from PubChem (CID 162386622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).