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

C17H28F3N5O2 — CID 109376811

IUPACN'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CCN1C(=O)CCCC1=O)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C17H28F3N5O2/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)
InChIKeyKFMSOTXUNJDSNH-UHFFFAOYSA-N
MW391.44 g/mol
LogP1.06
Rot. Bonds5

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

N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (PubChem CID 109376811) has the molecular formula C17H28F3N5O2 and a molecular weight of 391.44 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.

Molecular Properties

Compound NameN'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
PubChem CID109376811
Molecular FormulaC17H28F3N5O2
Molecular Weight391.44 g/mol
Exact Mass391.22
IUPAC NameN'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CCN1C(=O)CCCC1=O)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C17H28F3N5O2/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)
InChIKeyKFMSOTXUNJDSNH-UHFFFAOYSA-N
XLogP1.06
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.06
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': 'phthalimide', 'substructure': 'N/A'}

Analyze N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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?
The IUPAC name of N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (CID 109376811) is N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.
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?
The canonical SMILES for N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is CCN/C(=N\CCN1C(=O)CCCC1=O)N1CCN(C(C)C(F)(F)F)CC1.
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?
The InChIKey is KFMSOTXUNJDSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3N5O2/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).
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?
N'-[2-(2,6-dioxopiperidin-1-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide has a molecular weight of 391.44 g/mol, XLogP of 1.06, 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 is sourced from PubChem (CID 109376811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).