N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide

C17H29F3IN5O2 — CID 109376810

IUPACN'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCN1C(=O)CCCC1=O)N1CCN(C(C)C(F)(F)F)CC1.I
InChIInChI=1S/C17H28F3N5O2.HI/c1-3-21-16(22-7-8-25-14(26)5-4-6-15(25)27)24-11-9-23(10-12-24)13(2)17(18,19)20;/h13H,3-12H2,1-2H3,(H,21,22);1H
InChIKeyWGPZQIQKQICRAI-UHFFFAOYSA-N
MW519.35 g/mol
LogP1.68
Rot. Bonds5

About N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide

N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 109376810) has the molecular formula C17H29F3IN5O2 and a molecular weight of 519.35 g/mol. Its IUPAC name is N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
PubChem CID109376810
Molecular FormulaC17H29F3IN5O2
Molecular Weight519.35 g/mol
Exact Mass519.13
IUPAC NameN'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCN1C(=O)CCCC1=O)N1CCN(C(C)C(F)(F)F)CC1.I
InChIInChI=1S/C17H28F3N5O2.HI/c1-3-21-16(22-7-8-25-14(26)5-4-6-15(25)27)24-11-9-23(10-12-24)13(2)17(18,19)20;/h13H,3-12H2,1-2H3,(H,21,22);1H
InChIKeyWGPZQIQKQICRAI-UHFFFAOYSA-N
XLogP1.68
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide (CID 109376810) is N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CCN1C(=O)CCCC1=O)N1CCN(C(C)C(F)(F)F)CC1.I.
What is the InChIKey of N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is WGPZQIQKQICRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3N5O2.HI/c1-3-21-16(22-7-8-25-14(26)5-4-6-15(25)27)24-11-9-23(10-12-24)13(2)17(18,19)20;/h13H,3-12H2,1-2H3,(H,21,22);1H.
What are the key properties of N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide?
N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 519.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109376810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).