N'-methyl-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide

C24H33IN6O2 — CID 111221646

About N'-methyl-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide

N'-methyl-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 111221646) has the molecular formula C24H33IN6O2 and a molecular weight of 564.47 g/mol. Its IUPAC name is N'-methyl-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-methyl-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
• PubChem CID: 111221646
• Molecular Formula: C24H33IN6O2
• Molecular Weight: 564.47 g/mol
• Exact Mass: 564.17
• IUPAC Name: N'-methyl-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
• SMILES: C/N=C(\NCC(C(=O)N1CCOCC1)c1ccccc1)N1CCN(c2ccccn2)CC1.I
• InChI: InChI=1S/C24H32N6O2.HI/c1-25-24(30-13-11-28(12-14-30)22-9-5-6-10-26-22)27-19-21(20-7-3-2-4-8-20)23(31)29-15-17-32-18-16-29;/h2-10,21H,11-19H2,1H3,(H,25,27);1H
• InChIKey: PRDPFQVEMFHXGJ-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 73.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.47
LogP ≤ 5	2.04
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'-methyl-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?

The IUPAC name of N'-methyl-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide (CID 111221646) is N'-methyl-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N'-methyl-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?

The canonical SMILES for N'-methyl-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide is C/N=C(\NCC(C(=O)N1CCOCC1)c1ccccc1)N1CCN(c2ccccn2)CC1.I.

What is the InChIKey of N'-methyl-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?

The InChIKey is PRDPFQVEMFHXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2.HI/c1-25-24(30-13-11-28(12-14-30)22-9-5-6-10-26-22)27-19-21(20-7-3-2-4-8-20)23(31)29-15-17-32-18-16-29;/h2-10,21H,11-19H2,1H3,(H,25,27);1H.

What are the key properties of N'-methyl-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide?

N'-methyl-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 564.47 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N'-methyl-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111221646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).