4-acetyl-N'-[2-(cyclopropylmethoxy)ethyl]-N-ethylpiperazine-1-carboximidamide

C15H28N4O2 — CID 111546975

IUPAC4-acetyl-N'-[2-(cyclopropylmethoxy)ethyl]-N-ethylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CCOCC1CC1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C15H28N4O2/c1-3-16-15(17-6-11-21-12-14-4-5-14)19-9-7-18(8-10-19)13(2)20/h14H,3-12H2,1-2H3,(H,16,17)
InChIKeySKJVUBSMHVVUFC-UHFFFAOYSA-N
MW296.41 g/mol
LogP0.54
Rot. Bonds6

About 4-acetyl-N'-[2-(cyclopropylmethoxy)ethyl]-N-ethylpiperazine-1-carboximidamide

4-acetyl-N'-[2-(cyclopropylmethoxy)ethyl]-N-ethylpiperazine-1-carboximidamide (PubChem CID 111546975) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-acetyl-N'-[2-(cyclopropylmethoxy)ethyl]-N-ethylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-acetyl-N'-[2-(cyclopropylmethoxy)ethyl]-N-ethylpiperazine-1-carboximidamide
PubChem CID111546975
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name4-acetyl-N'-[2-(cyclopropylmethoxy)ethyl]-N-ethylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CCOCC1CC1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C15H28N4O2/c1-3-16-15(17-6-11-21-12-14-4-5-14)19-9-7-18(8-10-19)13(2)20/h14H,3-12H2,1-2H3,(H,16,17)
InChIKeySKJVUBSMHVVUFC-UHFFFAOYSA-N
XLogP0.54
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-acetyl-N'-[2-(cyclopropylmethoxy)ethyl]-N-ethylpiperazine-1-carboximidamide 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'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109443075
1-[2-(4-acetylpiperazin-1-yl)ethyl]-2-[3-(cyclopropylmethoxy)propyl]-3-ethylguanidine;hydroiodide
CID 111390640
4-acetyl-N-ethyl-N'-[(3-methylcyclohexyl)methyl]piperazine-1-carboximidamide
CID 110962485
N'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 111219663
4-acetyl-N-ethyl-N'-pentylpiperazine-1-carboximidamide;hydroiodide
CID 110963136
ethyl 1-[N'-[3-(cyclopropylmethoxy)propyl]-N-ethylcarbamimidoyl]piperidine-3-carboxylate
CID 110994791
ethyl 4-[N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]carbamimidoyl]piperazine-1-carboxylate
CID 111163977
4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide
CID 110964091
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[3-(2-methoxyethoxy)propyl]pyrrolidine-1-carboximidamide
CID 111747795
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111737903
4-acetyl-N-ethyl-N'-nonylpiperazine-1-carboximidamide;hydroiodide
CID 110963690
4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110963138

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N'-[2-(cyclopropylmethoxy)ethyl]-N-ethylpiperazine-1-carboximidamide?
The IUPAC name of 4-acetyl-N'-[2-(cyclopropylmethoxy)ethyl]-N-ethylpiperazine-1-carboximidamide (CID 111546975) is 4-acetyl-N'-[2-(cyclopropylmethoxy)ethyl]-N-ethylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-acetyl-N'-[2-(cyclopropylmethoxy)ethyl]-N-ethylpiperazine-1-carboximidamide?
The canonical SMILES for 4-acetyl-N'-[2-(cyclopropylmethoxy)ethyl]-N-ethylpiperazine-1-carboximidamide is CCN/C(=N\CCOCC1CC1)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N'-[2-(cyclopropylmethoxy)ethyl]-N-ethylpiperazine-1-carboximidamide?
The InChIKey is SKJVUBSMHVVUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-3-16-15(17-6-11-21-12-14-4-5-14)19-9-7-18(8-10-19)13(2)20/h14H,3-12H2,1-2H3,(H,16,17).
What are the key properties of 4-acetyl-N'-[2-(cyclopropylmethoxy)ethyl]-N-ethylpiperazine-1-carboximidamide?
4-acetyl-N'-[2-(cyclopropylmethoxy)ethyl]-N-ethylpiperazine-1-carboximidamide has a molecular weight of 296.41 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N'-[2-(cyclopropylmethoxy)ethyl]-N-ethylpiperazine-1-carboximidamide is sourced from PubChem (CID 111546975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).