2-oxo-2-piperidin-4-ylethanimidamide

C7H13N3O — CID 145256820

IUPAC2-oxo-2-piperidin-4-ylethanimidamide
SMILES[H]/N=C(\N)C(=O)C1CCNCC1
InChIInChI=1S/C7H13N3O/c8-7(9)6(11)5-1-3-10-4-2-5/h5,10H,1-4H2,(H3,8,9)
InChIKeyYBUYOHYKJAPUFE-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.51
Rot. Bonds2

About 2-oxo-2-piperidin-4-ylethanimidamide

2-oxo-2-piperidin-4-ylethanimidamide (PubChem CID 145256820) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-oxo-2-piperidin-4-ylethanimidamide.

Molecular Properties

Compound Name2-oxo-2-piperidin-4-ylethanimidamide
PubChem CID145256820
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-oxo-2-piperidin-4-ylethanimidamide
SMILES[H]/N=C(\N)C(=O)C1CCNCC1
InChIInChI=1S/C7H13N3O/c8-7(9)6(11)5-1-3-10-4-2-5/h5,10H,1-4H2,(H3,8,9)
InChIKeyYBUYOHYKJAPUFE-UHFFFAOYSA-N
XLogP-0.51
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-oxo-2-piperidin-4-ylethanimidamide?
The IUPAC name of 2-oxo-2-piperidin-4-ylethanimidamide (CID 145256820) is 2-oxo-2-piperidin-4-ylethanimidamide.
What is the SMILES notation for 2-oxo-2-piperidin-4-ylethanimidamide?
The canonical SMILES for 2-oxo-2-piperidin-4-ylethanimidamide is [H]/N=C(\N)C(=O)C1CCNCC1.
What is the InChIKey of 2-oxo-2-piperidin-4-ylethanimidamide?
The InChIKey is YBUYOHYKJAPUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c8-7(9)6(11)5-1-3-10-4-2-5/h5,10H,1-4H2,(H3,8,9).
What are the key properties of 2-oxo-2-piperidin-4-ylethanimidamide?
2-oxo-2-piperidin-4-ylethanimidamide has a molecular weight of 155.20 g/mol, XLogP of -0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-piperidin-4-ylethanimidamide is sourced from PubChem (CID 145256820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).