N-ethyl-N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide

C22H35IN6O — CID 111743206

About N-ethyl-N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide

N-ethyl-N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111743206) has the molecular formula C22H35IN6O and a molecular weight of 526.47 g/mol. Its IUPAC name is N-ethyl-N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-ethyl-N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
• PubChem CID: 111743206
• Molecular Formula: C22H35IN6O
• Molecular Weight: 526.47 g/mol
• Exact Mass: 526.19
• IUPAC Name: N-ethyl-N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
• SMILES: CCN/C(=N\CC(c1ccco1)N1CCCCC1)N1CCC(c2cnn(C)c2)C1.I
• InChI: InChI=1S/C22H34N6O.HI/c1-3-23-22(28-12-9-18(17-28)19-14-25-26(2)16-19)24-15-20(21-8-7-13-29-21)27-10-5-4-6-11-27;/h7-8,13-14,16,18,20H,3-6,9-12,15,17H2,1-2H3,(H,23,24);1H
• InChIKey: HHTQTCIWVZPTGT-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 61.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.47
LogP ≤ 5	3.61
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-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide?

The IUPAC name of N-ethyl-N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide (CID 111743206) is N-ethyl-N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N-ethyl-N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide?

The canonical SMILES for N-ethyl-N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(c1ccco1)N1CCCCC1)N1CCC(c2cnn(C)c2)C1.I.

What is the InChIKey of N-ethyl-N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide?

The InChIKey is HHTQTCIWVZPTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O.HI/c1-3-23-22(28-12-9-18(17-28)19-14-25-26(2)16-19)24-15-20(21-8-7-13-29-21)27-10-5-4-6-11-27;/h7-8,13-14,16,18,20H,3-6,9-12,15,17H2,1-2H3,(H,23,24);1H.

What are the key properties of N-ethyl-N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide?

N-ethyl-N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 526.47 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111743206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).