N'-hydroxy-2-oxo-2-piperidin-4-ylethanimidamide

C7H13N3O2 — CID 126593084

IUPACN'-hydroxy-2-oxo-2-piperidin-4-ylethanimidamide
SMILESN/C(=N\O)C(=O)C1CCNCC1
InChIInChI=1S/C7H13N3O2/c8-7(10-12)6(11)5-1-3-9-4-2-5/h5,9,12H,1-4H2,(H2,8,10)
InChIKeyMKWJPLWTEIUGNB-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.70
Rot. Bonds2

About N'-hydroxy-2-oxo-2-piperidin-4-ylethanimidamide

N'-hydroxy-2-oxo-2-piperidin-4-ylethanimidamide (PubChem CID 126593084) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is N'-hydroxy-2-oxo-2-piperidin-4-ylethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-oxo-2-piperidin-4-ylethanimidamide
PubChem CID126593084
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC NameN'-hydroxy-2-oxo-2-piperidin-4-ylethanimidamide
SMILESN/C(=N\O)C(=O)C1CCNCC1
InChIInChI=1S/C7H13N3O2/c8-7(10-12)6(11)5-1-3-9-4-2-5/h5,9,12H,1-4H2,(H2,8,10)
InChIKeyMKWJPLWTEIUGNB-UHFFFAOYSA-N
XLogP-0.70
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.70
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-2-oxo-2-piperidin-4-ylethanimidamide?
The IUPAC name of N'-hydroxy-2-oxo-2-piperidin-4-ylethanimidamide (CID 126593084) is N'-hydroxy-2-oxo-2-piperidin-4-ylethanimidamide.
What is the SMILES notation for N'-hydroxy-2-oxo-2-piperidin-4-ylethanimidamide?
The canonical SMILES for N'-hydroxy-2-oxo-2-piperidin-4-ylethanimidamide is N/C(=N\O)C(=O)C1CCNCC1.
What is the InChIKey of N'-hydroxy-2-oxo-2-piperidin-4-ylethanimidamide?
The InChIKey is MKWJPLWTEIUGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c8-7(10-12)6(11)5-1-3-9-4-2-5/h5,9,12H,1-4H2,(H2,8,10).
What are the key properties of N'-hydroxy-2-oxo-2-piperidin-4-ylethanimidamide?
N'-hydroxy-2-oxo-2-piperidin-4-ylethanimidamide has a molecular weight of 171.20 g/mol, XLogP of -0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-oxo-2-piperidin-4-ylethanimidamide is sourced from PubChem (CID 126593084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).