4-acetyl-N-ethyl-N'-[(3-methylcyclohexyl)methyl]piperazine-1-carboximidamide

C17H32N4O — CID 110962485

IUPAC4-acetyl-N-ethyl-N'-[(3-methylcyclohexyl)methyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CC1CCCC(C)C1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C17H32N4O/c1-4-18-17(19-13-16-7-5-6-14(2)12-16)21-10-8-20(9-11-21)15(3)22/h14,16H,4-13H2,1-3H3,(H,18,19)
InChIKeyQBXLKCMOTVABEL-UHFFFAOYSA-N
MW308.47 g/mol
LogP1.94
Rot. Bonds3

About 4-acetyl-N-ethyl-N'-[(3-methylcyclohexyl)methyl]piperazine-1-carboximidamide

4-acetyl-N-ethyl-N'-[(3-methylcyclohexyl)methyl]piperazine-1-carboximidamide (PubChem CID 110962485) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is 4-acetyl-N-ethyl-N'-[(3-methylcyclohexyl)methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-acetyl-N-ethyl-N'-[(3-methylcyclohexyl)methyl]piperazine-1-carboximidamide
PubChem CID110962485
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name4-acetyl-N-ethyl-N'-[(3-methylcyclohexyl)methyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CC1CCCC(C)C1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C17H32N4O/c1-4-18-17(19-13-16-7-5-6-14(2)12-16)21-10-8-20(9-11-21)15(3)22/h14,16H,4-13H2,1-3H3,(H,18,19)
InChIKeyQBXLKCMOTVABEL-UHFFFAOYSA-N
XLogP1.94
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 51.94
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

N-ethyl-N'-[(3-methylcyclohexyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111302687
4-acetyl-N-ethyl-N'-[(2-methylcyclohexyl)methyl]piperazine-1-carboximidamide
CID 110962483
4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide
CID 110964091
4-acetyl-N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110964090
N-ethyl-N'-[(3-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109434809
4-acetyl-N'-[2-(cyclopropylmethoxy)ethyl]-N-ethylpiperazine-1-carboximidamide
CID 111546975
4-acetyl-N-ethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110964070
N-ethyl-N'-[(3-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide;hydroiodide
CID 109434808
4-acetyl-N-ethyl-N'-[(1-propylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110962488
4-acetyl-N-ethyl-N'-[2-(3-methylpiperidin-1-yl)ethyl]piperazine-1-carboximidamide
CID 110962569
N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144379
N'-(cyclopropylmethyl)-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153504

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethyl-N'-[(3-methylcyclohexyl)methyl]piperazine-1-carboximidamide?
The IUPAC name of 4-acetyl-N-ethyl-N'-[(3-methylcyclohexyl)methyl]piperazine-1-carboximidamide (CID 110962485) is 4-acetyl-N-ethyl-N'-[(3-methylcyclohexyl)methyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-acetyl-N-ethyl-N'-[(3-methylcyclohexyl)methyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-acetyl-N-ethyl-N'-[(3-methylcyclohexyl)methyl]piperazine-1-carboximidamide is CCN/C(=N\CC1CCCC(C)C1)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N-ethyl-N'-[(3-methylcyclohexyl)methyl]piperazine-1-carboximidamide?
The InChIKey is QBXLKCMOTVABEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-4-18-17(19-13-16-7-5-6-14(2)12-16)21-10-8-20(9-11-21)15(3)22/h14,16H,4-13H2,1-3H3,(H,18,19).
What are the key properties of 4-acetyl-N-ethyl-N'-[(3-methylcyclohexyl)methyl]piperazine-1-carboximidamide?
4-acetyl-N-ethyl-N'-[(3-methylcyclohexyl)methyl]piperazine-1-carboximidamide has a molecular weight of 308.47 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-ethyl-N'-[(3-methylcyclohexyl)methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 110962485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).