N-ethyl-4-(furan-2-carbonyl)-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide

C22H32IN5O3S — CID 111168438

About N-ethyl-4-(furan-2-carbonyl)-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide

N-ethyl-4-(furan-2-carbonyl)-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111168438) has the molecular formula C22H32IN5O3S and a molecular weight of 573.50 g/mol. Its IUPAC name is N-ethyl-4-(furan-2-carbonyl)-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N-ethyl-4-(furan-2-carbonyl)-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
• PubChem CID: 111168438
• Molecular Formula: C22H32IN5O3S
• Molecular Weight: 573.50 g/mol
• Exact Mass: 573.13
• IUPAC Name: N-ethyl-4-(furan-2-carbonyl)-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
• SMILES: CCN/C(=N\CC(c1cccs1)N1CCOCC1)N1CCN(C(=O)c2ccco2)CC1.I
• InChI: InChI=1S/C22H31N5O3S.HI/c1-2-23-22(27-9-7-26(8-10-27)21(28)19-5-3-13-30-19)24-17-18(20-6-4-16-31-20)25-11-14-29-15-12-25;/h3-6,13,16,18H,2,7-12,14-15,17H2,1H3,(H,23,24);1H
• InChIKey: GVNNQENWZCLPFV-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 73.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.50
LogP ≤ 5	2.76
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-4-(furan-2-carbonyl)-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide?

The IUPAC name of N-ethyl-4-(furan-2-carbonyl)-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide (CID 111168438) is N-ethyl-4-(furan-2-carbonyl)-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide.

What is the SMILES notation for N-ethyl-4-(furan-2-carbonyl)-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide?

The canonical SMILES for N-ethyl-4-(furan-2-carbonyl)-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CC(c1cccs1)N1CCOCC1)N1CCN(C(=O)c2ccco2)CC1.I.

What is the InChIKey of N-ethyl-4-(furan-2-carbonyl)-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide?

The InChIKey is GVNNQENWZCLPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3S.HI/c1-2-23-22(27-9-7-26(8-10-27)21(28)19-5-3-13-30-19)24-17-18(20-6-4-16-31-20)25-11-14-29-15-12-25;/h3-6,13,16,18H,2,7-12,14-15,17H2,1H3,(H,23,24);1H.

What are the key properties of N-ethyl-4-(furan-2-carbonyl)-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide?

N-ethyl-4-(furan-2-carbonyl)-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 573.50 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-4-(furan-2-carbonyl)-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111168438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).