1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide

C12H18N4O4 — CID 80594473

IUPAC1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)C1(C(N)=NO)CCC1
InChIInChI=1S/C12H18N4O4/c1-11(2)9(18)14-7(17)6-16(11)10(19)12(4-3-5-12)8(13)15-20/h20H,3-6H2,1-2H3,(H2,13,15)(H,14,17,18)
InChIKeyACCFZXRXLINADI-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.83
Rot. Bonds2

About 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide

1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide (PubChem CID 80594473) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide.

Molecular Properties

Compound Name1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
PubChem CID80594473
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)C1(C(N)=NO)CCC1
InChIInChI=1S/C12H18N4O4/c1-11(2)9(18)14-7(17)6-16(11)10(19)12(4-3-5-12)8(13)15-20/h20H,3-6H2,1-2H3,(H2,13,15)(H,14,17,18)
InChIKeyACCFZXRXLINADI-UHFFFAOYSA-N
XLogP-0.83
TPSA125.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide?
The IUPAC name of 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide (CID 80594473) is 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide.
What is the SMILES notation for 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide?
The canonical SMILES for 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide is CC1(C)C(=O)NC(=O)CN1C(=O)C1(C(N)=NO)CCC1.
What is the InChIKey of 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide?
The InChIKey is ACCFZXRXLINADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-11(2)9(18)14-7(17)6-16(11)10(19)12(4-3-5-12)8(13)15-20/h20H,3-6H2,1-2H3,(H2,13,15)(H,14,17,18).
What are the key properties of 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide?
1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide has a molecular weight of 282.30 g/mol, XLogP of -0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide is sourced from PubChem (CID 80594473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).