4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide

C16H24N4O — CID 110962963

IUPAC4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccccc1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C16H24N4O/c1-3-17-16(18-13-15-7-5-4-6-8-15)20-11-9-19(10-12-20)14(2)21/h4-8H,3,9-13H2,1-2H3,(H,17,18)
InChIKeyPQTUNYHCEZIBSU-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.32
Rot. Bonds3

About 4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide

4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide (PubChem CID 110962963) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide
PubChem CID110962963
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccccc1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C16H24N4O/c1-3-17-16(18-13-15-7-5-4-6-8-15)20-11-9-19(10-12-20)14(2)21/h4-8H,3,9-13H2,1-2H3,(H,17,18)
InChIKeyPQTUNYHCEZIBSU-UHFFFAOYSA-N
XLogP1.32
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-ethyl-N'-[(4-methylsulfonylphenyl)methyl]piperazine-1-carboximidamide
CID 110963257
4-acetyl-N'-[[3-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110963260
4-acetyl-N'-[(3-cyanophenyl)methyl]-N-ethylpiperazine-1-carboximidamide
CID 110962407
benzyl 3-[[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]methyl]benzoate;hydroiodide
CID 110963664
4-acetyl-N-ethyl-N'-[(4-sulfamoylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110962972
4-acetyl-N-ethyl-N'-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 110963798
4-acetyl-N-ethyl-N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 110962434
methyl N-[4-[[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]methyl]phenyl]carbamate;hydroiodide
CID 110963462
4-acetyl-N-ethyl-N'-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110964020
4-acetyl-N-ethyl-N'-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110963218
N-[3-[[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]methyl]phenyl]-2-methylbutanamide
CID 110962411
4-acetyl-N'-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110963800

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide?
The IUPAC name of 4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide (CID 110962963) is 4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide?
The canonical SMILES for 4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide is CCN/C(=N\Cc1ccccc1)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide?
The InChIKey is PQTUNYHCEZIBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-17-16(18-13-15-7-5-4-6-8-15)20-11-9-19(10-12-20)14(2)21/h4-8H,3,9-13H2,1-2H3,(H,17,18).
What are the key properties of 4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide?
4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide has a molecular weight of 288.39 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide is sourced from PubChem (CID 110962963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).