N-[2-(1-ethylpiperidin-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide

C20H36IN7O — CID 119160085

About N-[2-(1-ethylpiperidin-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide

N-[2-(1-ethylpiperidin-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 119160085) has the molecular formula C20H36IN7O and a molecular weight of 517.46 g/mol. Its IUPAC name is N-[2-(1-ethylpiperidin-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-[2-(1-ethylpiperidin-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
• PubChem CID: 119160085
• Molecular Formula: C20H36IN7O
• Molecular Weight: 517.46 g/mol
• Exact Mass: 517.20
• IUPAC Name: N-[2-(1-ethylpiperidin-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
• SMILES: CCN1CCC(CCN/C(=N\C)N2CCN(c3nccn(C)c3=O)CC2)CC1.I
• InChI: InChI=1S/C20H35N7O.HI/c1-4-25-10-6-17(7-11-25)5-8-23-20(21-2)27-15-13-26(14-16-27)18-19(28)24(3)12-9-22-18;/h9,12,17H,4-8,10-11,13-16H2,1-3H3,(H,21,23);1H
• InChIKey: MCBWKFPXEKYQLD-UHFFFAOYSA-N
• XLogP: 1.22
• TPSA: 69.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.46
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylpiperidin-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide?

The IUPAC name of N-[2-(1-ethylpiperidin-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide (CID 119160085) is N-[2-(1-ethylpiperidin-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N-[2-(1-ethylpiperidin-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide?

The canonical SMILES for N-[2-(1-ethylpiperidin-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide is CCN1CCC(CCN/C(=N\C)N2CCN(c3nccn(C)c3=O)CC2)CC1.I.

What is the InChIKey of N-[2-(1-ethylpiperidin-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide?

The InChIKey is MCBWKFPXEKYQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N7O.HI/c1-4-25-10-6-17(7-11-25)5-8-23-20(21-2)27-15-13-26(14-16-27)18-19(28)24(3)12-9-22-18;/h9,12,17H,4-8,10-11,13-16H2,1-3H3,(H,21,23);1H.

What are the key properties of N-[2-(1-ethylpiperidin-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide?

N-[2-(1-ethylpiperidin-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 517.46 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1-ethylpiperidin-4-yl)ethyl]-N'-methyl-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119160085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).