N'-hydroxy-2-[(2-oxopiperidin-3-yl)amino]ethanimidamide

C7H14N4O2 — CID 77030299

IUPACN'-hydroxy-2-[(2-oxopiperidin-3-yl)amino]ethanimidamide
SMILESNC(CNC1CCCNC1=O)=NO
InChIInChI=1S/C7H14N4O2/c8-6(11-13)4-10-5-2-1-3-9-7(5)12/h5,10,13H,1-4H2,(H2,8,11)(H,9,12)
InChIKeyZAWZPPGTNMIGGK-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.40
Rot. Bonds3

About N'-hydroxy-2-[(2-oxopiperidin-3-yl)amino]ethanimidamide

N'-hydroxy-2-[(2-oxopiperidin-3-yl)amino]ethanimidamide (PubChem CID 77030299) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is N'-hydroxy-2-[(2-oxopiperidin-3-yl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(2-oxopiperidin-3-yl)amino]ethanimidamide
PubChem CID77030299
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC NameN'-hydroxy-2-[(2-oxopiperidin-3-yl)amino]ethanimidamide
SMILESNC(CNC1CCCNC1=O)=NO
InChIInChI=1S/C7H14N4O2/c8-6(11-13)4-10-5-2-1-3-9-7(5)12/h5,10,13H,1-4H2,(H2,8,11)(H,9,12)
InChIKeyZAWZPPGTNMIGGK-UHFFFAOYSA-N
XLogP-1.40
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
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-[(2-oxopiperidin-3-yl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[(2-oxopiperidin-3-yl)amino]ethanimidamide (CID 77030299) is N'-hydroxy-2-[(2-oxopiperidin-3-yl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(2-oxopiperidin-3-yl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[(2-oxopiperidin-3-yl)amino]ethanimidamide is NC(CNC1CCCNC1=O)=NO.
What is the InChIKey of N'-hydroxy-2-[(2-oxopiperidin-3-yl)amino]ethanimidamide?
The InChIKey is ZAWZPPGTNMIGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c8-6(11-13)4-10-5-2-1-3-9-7(5)12/h5,10,13H,1-4H2,(H2,8,11)(H,9,12).
What are the key properties of N'-hydroxy-2-[(2-oxopiperidin-3-yl)amino]ethanimidamide?
N'-hydroxy-2-[(2-oxopiperidin-3-yl)amino]ethanimidamide has a molecular weight of 186.21 g/mol, XLogP of -1.40, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(2-oxopiperidin-3-yl)amino]ethanimidamide is sourced from PubChem (CID 77030299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).