N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide

C23H36IN5O2 — CID 109448558

About N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide

N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide (PubChem CID 109448558) has the molecular formula C23H36IN5O2 and a molecular weight of 541.48 g/mol. Its IUPAC name is N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
• PubChem CID: 109448558
• Molecular Formula: C23H36IN5O2
• Molecular Weight: 541.48 g/mol
• Exact Mass: 541.19
• IUPAC Name: N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
• SMILES: CCN/C(=N\CCc1cn2ccccc2n1)N1CCC(OCC2CCCCO2)CC1.I
• InChI: InChI=1S/C23H35N5O2.HI/c1-2-24-23(25-12-9-19-17-28-13-5-3-8-22(28)26-19)27-14-10-20(11-15-27)30-18-21-7-4-6-16-29-21;/h3,5,8,13,17,20-21H,2,4,6-7,9-12,14-16,18H2,1H3,(H,24,25);1H
• InChIKey: RXLOWGVTWAQVRV-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 63.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.48
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

The IUPAC name of N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide (CID 109448558) is N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

The canonical SMILES for N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCc1cn2ccccc2n1)N1CCC(OCC2CCCCO2)CC1.I.

What is the InChIKey of N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

The InChIKey is RXLOWGVTWAQVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O2.HI/c1-2-24-23(25-12-9-19-17-28-13-5-3-8-22(28)26-19)27-14-10-20(11-15-27)30-18-21-7-4-6-16-29-21;/h3,5,8,13,17,20-21H,2,4,6-7,9-12,14-16,18H2,1H3,(H,24,25);1H.

What are the key properties of N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide?

N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 541.48 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N'-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109448558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).