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

C20H36IN7O — CID 119159157

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

N-ethyl-N'-[(1-ethylpiperidin-2-yl)methyl]-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 119159157) has the molecular formula C20H36IN7O and a molecular weight of 517.46 g/mol. Its IUPAC name is N-ethyl-N'-[(1-ethylpiperidin-2-yl)methyl]-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-ethyl-N'-[(1-ethylpiperidin-2-yl)methyl]-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
• PubChem CID: 119159157
• Molecular Formula: C20H36IN7O
• Molecular Weight: 517.46 g/mol
• Exact Mass: 517.20
• IUPAC Name: N-ethyl-N'-[(1-ethylpiperidin-2-yl)methyl]-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide
• SMILES: CCN/C(=N\CC1CCCCN1CC)N1CCN(c2nccn(C)c2=O)CC1.I
• InChI: InChI=1S/C20H35N7O.HI/c1-4-21-20(23-16-17-8-6-7-10-25(17)5-2)27-14-12-26(13-15-27)18-19(28)24(3)11-9-22-18;/h9,11,17H,4-8,10,12-16H2,1-3H3,(H,21,23);1H
• InChIKey: OPDQDISFFADKKM-UHFFFAOYSA-N
• XLogP: 1.36
• 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	1.36
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-ethyl-N'-[(1-ethylpiperidin-2-yl)methyl]-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide?

The IUPAC name of N-ethyl-N'-[(1-ethylpiperidin-2-yl)methyl]-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide (CID 119159157) is N-ethyl-N'-[(1-ethylpiperidin-2-yl)methyl]-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide.

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

The canonical SMILES for N-ethyl-N'-[(1-ethylpiperidin-2-yl)methyl]-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CC1CCCCN1CC)N1CCN(c2nccn(C)c2=O)CC1.I.

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

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

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

N-ethyl-N'-[(1-ethylpiperidin-2-yl)methyl]-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 517.46 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N'-[(1-ethylpiperidin-2-yl)methyl]-4-(4-methyl-3-oxopyrazin-2-yl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119159157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).