N'-hydroxy-1-(3-oxopiperazine-1-carbonyl)cyclobutane-1-carboximidamide

C10H16N4O3 — CID 80591108

IUPACN'-hydroxy-1-(3-oxopiperazine-1-carbonyl)cyclobutane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCNC(=O)C2)CCC1
InChIInChI=1S/C10H16N4O3/c11-8(13-17)10(2-1-3-10)9(16)14-5-4-12-7(15)6-14/h17H,1-6H2,(H2,11,13)(H,12,15)
InChIKeyPOWCRNSFJIUVSN-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.14
Rot. Bonds2

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

N'-hydroxy-1-(3-oxopiperazine-1-carbonyl)cyclobutane-1-carboximidamide (PubChem CID 80591108) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N'-hydroxy-1-(3-oxopiperazine-1-carbonyl)cyclobutane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(3-oxopiperazine-1-carbonyl)cyclobutane-1-carboximidamide
PubChem CID80591108
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN'-hydroxy-1-(3-oxopiperazine-1-carbonyl)cyclobutane-1-carboximidamide
SMILESNC(=NO)C1(C(=O)N2CCNC(=O)C2)CCC1
InChIInChI=1S/C10H16N4O3/c11-8(13-17)10(2-1-3-10)9(16)14-5-4-12-7(15)6-14/h17H,1-6H2,(H2,11,13)(H,12,15)
InChIKeyPOWCRNSFJIUVSN-UHFFFAOYSA-N
XLogP-1.14
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
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': '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-1-(3-oxopiperazine-1-carbonyl)cyclobutane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(3-oxopiperazine-1-carbonyl)cyclobutane-1-carboximidamide (CID 80591108) is N'-hydroxy-1-(3-oxopiperazine-1-carbonyl)cyclobutane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(3-oxopiperazine-1-carbonyl)cyclobutane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(3-oxopiperazine-1-carbonyl)cyclobutane-1-carboximidamide is NC(=NO)C1(C(=O)N2CCNC(=O)C2)CCC1.
What is the InChIKey of N'-hydroxy-1-(3-oxopiperazine-1-carbonyl)cyclobutane-1-carboximidamide?
The InChIKey is POWCRNSFJIUVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c11-8(13-17)10(2-1-3-10)9(16)14-5-4-12-7(15)6-14/h17H,1-6H2,(H2,11,13)(H,12,15).
What are the key properties of N'-hydroxy-1-(3-oxopiperazine-1-carbonyl)cyclobutane-1-carboximidamide?
N'-hydroxy-1-(3-oxopiperazine-1-carbonyl)cyclobutane-1-carboximidamide has a molecular weight of 240.26 g/mol, XLogP of -1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(3-oxopiperazine-1-carbonyl)cyclobutane-1-carboximidamide is sourced from PubChem (CID 80591108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).