N'-cyclohexyl-2-methyl-3,5-dioxopiperazine-1-carboximidamide

C12H20N4O2 — CID 66073701

IUPACN'-cyclohexyl-2-methyl-3,5-dioxopiperazine-1-carboximidamide
SMILESCC1C(=O)NC(=O)CN1/C(N)=N/C1CCCCC1
InChIInChI=1S/C12H20N4O2/c1-8-11(18)15-10(17)7-16(8)12(13)14-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H2,13,14)(H,15,17,18)
InChIKeyZPQFEBDDOZIEHL-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.02
Rot. Bonds1

About N'-cyclohexyl-2-methyl-3,5-dioxopiperazine-1-carboximidamide

N'-cyclohexyl-2-methyl-3,5-dioxopiperazine-1-carboximidamide (PubChem CID 66073701) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N'-cyclohexyl-2-methyl-3,5-dioxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-2-methyl-3,5-dioxopiperazine-1-carboximidamide
PubChem CID66073701
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN'-cyclohexyl-2-methyl-3,5-dioxopiperazine-1-carboximidamide
SMILESCC1C(=O)NC(=O)CN1/C(N)=N/C1CCCCC1
InChIInChI=1S/C12H20N4O2/c1-8-11(18)15-10(17)7-16(8)12(13)14-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H2,13,14)(H,15,17,18)
InChIKeyZPQFEBDDOZIEHL-UHFFFAOYSA-N
XLogP-0.02
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-2-methyl-3,5-dioxopiperazine-1-carboximidamide?
The IUPAC name of N'-cyclohexyl-2-methyl-3,5-dioxopiperazine-1-carboximidamide (CID 66073701) is N'-cyclohexyl-2-methyl-3,5-dioxopiperazine-1-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-2-methyl-3,5-dioxopiperazine-1-carboximidamide?
The canonical SMILES for N'-cyclohexyl-2-methyl-3,5-dioxopiperazine-1-carboximidamide is CC1C(=O)NC(=O)CN1/C(N)=N/C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-2-methyl-3,5-dioxopiperazine-1-carboximidamide?
The InChIKey is ZPQFEBDDOZIEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-11(18)15-10(17)7-16(8)12(13)14-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H2,13,14)(H,15,17,18).
What are the key properties of N'-cyclohexyl-2-methyl-3,5-dioxopiperazine-1-carboximidamide?
N'-cyclohexyl-2-methyl-3,5-dioxopiperazine-1-carboximidamide has a molecular weight of 252.32 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-2-methyl-3,5-dioxopiperazine-1-carboximidamide is sourced from PubChem (CID 66073701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).