N'-hydroxy-4-(3-oxopiperazine-1-carbonyl)oxane-4-carboximidamide

C11H18N4O4 — CID 76919329

IUPACN'-hydroxy-4-(3-oxopiperazine-1-carbonyl)oxane-4-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCNC(=O)C2)CCOCC1
InChIInChI=1S/C11H18N4O4/c12-9(14-18)11(1-5-19-6-2-11)10(17)15-4-3-13-8(16)7-15/h18H,1-7H2,(H2,12,14)(H,13,16)
InChIKeyWWCKMXLQPVMCAJ-UHFFFAOYSA-N
MW270.29 g/mol
LogP-1.51
Rot. Bonds2

About N'-hydroxy-4-(3-oxopiperazine-1-carbonyl)oxane-4-carboximidamide

N'-hydroxy-4-(3-oxopiperazine-1-carbonyl)oxane-4-carboximidamide (PubChem CID 76919329) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is N'-hydroxy-4-(3-oxopiperazine-1-carbonyl)oxane-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-oxopiperazine-1-carbonyl)oxane-4-carboximidamide
PubChem CID76919329
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC NameN'-hydroxy-4-(3-oxopiperazine-1-carbonyl)oxane-4-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCNC(=O)C2)CCOCC1
InChIInChI=1S/C11H18N4O4/c12-9(14-18)11(1-5-19-6-2-11)10(17)15-4-3-13-8(16)7-15/h18H,1-7H2,(H2,12,14)(H,13,16)
InChIKeyWWCKMXLQPVMCAJ-UHFFFAOYSA-N
XLogP-1.51
TPSA117.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-1.51
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-oxopiperazine-1-carbonyl)oxane-4-carboximidamide?
The IUPAC name of N'-hydroxy-4-(3-oxopiperazine-1-carbonyl)oxane-4-carboximidamide (CID 76919329) is N'-hydroxy-4-(3-oxopiperazine-1-carbonyl)oxane-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(3-oxopiperazine-1-carbonyl)oxane-4-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(3-oxopiperazine-1-carbonyl)oxane-4-carboximidamide is NC(=NO)C1(C(=O)N2CCNC(=O)C2)CCOCC1.
What is the InChIKey of N'-hydroxy-4-(3-oxopiperazine-1-carbonyl)oxane-4-carboximidamide?
The InChIKey is WWCKMXLQPVMCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c12-9(14-18)11(1-5-19-6-2-11)10(17)15-4-3-13-8(16)7-15/h18H,1-7H2,(H2,12,14)(H,13,16).
What are the key properties of N'-hydroxy-4-(3-oxopiperazine-1-carbonyl)oxane-4-carboximidamide?
N'-hydroxy-4-(3-oxopiperazine-1-carbonyl)oxane-4-carboximidamide has a molecular weight of 270.29 g/mol, XLogP of -1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-oxopiperazine-1-carbonyl)oxane-4-carboximidamide is sourced from PubChem (CID 76919329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).