4-acetyl-N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide

C18H36IN5O — CID 110962582

IUPAC4-acetyl-N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCN1CC(C)CC(C)C1)N1CCN(C(C)=O)CC1.I
InChIInChI=1S/C18H35N5O.HI/c1-5-19-18(23-10-8-22(9-11-23)17(4)24)20-6-7-21-13-15(2)12-16(3)14-21;/h15-16H,5-14H2,1-4H3,(H,19,20);1H
InChIKeyCSWXFTUGGZVTGQ-UHFFFAOYSA-N
MW465.42 g/mol
LogP1.71
Rot. Bonds4

About 4-acetyl-N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide

4-acetyl-N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 110962582) has the molecular formula C18H36IN5O and a molecular weight of 465.42 g/mol. Its IUPAC name is 4-acetyl-N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-acetyl-N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
PubChem CID110962582
Molecular FormulaC18H36IN5O
Molecular Weight465.42 g/mol
Exact Mass465.20
IUPAC Name4-acetyl-N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCN1CC(C)CC(C)C1)N1CCN(C(C)=O)CC1.I
InChIInChI=1S/C18H35N5O.HI/c1-5-19-18(23-10-8-22(9-11-23)17(4)24)20-6-7-21-13-15(2)12-16(3)14-21;/h15-16H,5-14H2,1-4H3,(H,19,20);1H
InChIKeyCSWXFTUGGZVTGQ-UHFFFAOYSA-N
XLogP1.71
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 110955385
4-acetyl-N-ethyl-N'-[2-(3-methylpiperidin-1-yl)ethyl]piperazine-1-carboximidamide
CID 110962569
(3R)-N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111550843
4-acetyl-N-ethyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperazine-1-carboximidamide
CID 110962687
4-acetyl-N-ethyl-N'-[2-(2-methylpiperidin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 110962566
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486786
4-acetyl-N-ethyl-N'-pentylpiperazine-1-carboximidamide;hydroiodide
CID 110963136
4-acetyl-N'-[2-(diethylamino)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110963138
4-acetyl-N-ethyl-N'-nonylpiperazine-1-carboximidamide;hydroiodide
CID 110963690
4-acetyl-N-ethyl-N'-(2-methylsulfanylethyl)piperazine-1-carboximidamide;hydroiodide
CID 110963440
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111737903
N-[2-[[[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111418949

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-acetyl-N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide (CID 110962582) is 4-acetyl-N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-acetyl-N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-acetyl-N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CCN1CC(C)CC(C)C1)N1CCN(C(C)=O)CC1.I.
What is the InChIKey of 4-acetyl-N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is CSWXFTUGGZVTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5O.HI/c1-5-19-18(23-10-8-22(9-11-23)17(4)24)20-6-7-21-13-15(2)12-16(3)14-21;/h15-16H,5-14H2,1-4H3,(H,19,20);1H.
What are the key properties of 4-acetyl-N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide?
4-acetyl-N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 465.42 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110962582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).