3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide

C8H16N4O — CID 62359557

IUPAC3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide
SMILESCC(C)/N=C(\N)N1CCNC(=O)C1
InChIInChI=1S/C8H16N4O/c1-6(2)11-8(9)12-4-3-10-7(13)5-12/h6H,3-5H2,1-2H3,(H2,9,11)(H,10,13)
InChIKeyZNLWLSJBUSOTPU-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.86
Rot. Bonds1

About 3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide

3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide (PubChem CID 62359557) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide
PubChem CID62359557
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide
SMILESCC(C)/N=C(\N)N1CCNC(=O)C1
InChIInChI=1S/C8H16N4O/c1-6(2)11-8(9)12-4-3-10-7(13)5-12/h6H,3-5H2,1-2H3,(H2,9,11)(H,10,13)
InChIKeyZNLWLSJBUSOTPU-UHFFFAOYSA-N
XLogP-0.86
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide?
The IUPAC name of 3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide (CID 62359557) is 3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for 3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for 3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide is CC(C)/N=C(\N)N1CCNC(=O)C1.
What is the InChIKey of 3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide?
The InChIKey is ZNLWLSJBUSOTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-6(2)11-8(9)12-4-3-10-7(13)5-12/h6H,3-5H2,1-2H3,(H2,9,11)(H,10,13).
What are the key properties of 3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide?
3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide has a molecular weight of 184.24 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N'-propan-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 62359557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).