N'-hydroxy-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanimidamide

C9H18N4O2 — CID 77055284

IUPACN'-hydroxy-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanimidamide
SMILESCN1CC(NCCC(N)=NO)CCC1=O
InChIInChI=1S/C9H18N4O2/c1-13-6-7(2-3-9(13)14)11-5-4-8(10)12-15/h7,11,15H,2-6H2,1H3,(H2,10,12)
InChIKeyBCLLFQZQESMFFB-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.67
Rot. Bonds4

About N'-hydroxy-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanimidamide

N'-hydroxy-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanimidamide (PubChem CID 77055284) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is N'-hydroxy-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanimidamide
PubChem CID77055284
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC NameN'-hydroxy-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanimidamide
SMILESCN1CC(NCCC(N)=NO)CCC1=O
InChIInChI=1S/C9H18N4O2/c1-13-6-7(2-3-9(13)14)11-5-4-8(10)12-15/h7,11,15H,2-6H2,1H3,(H2,10,12)
InChIKeyBCLLFQZQESMFFB-UHFFFAOYSA-N
XLogP-0.67
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.67
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'}

Analyze N'-hydroxy-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanimidamide (CID 77055284) is N'-hydroxy-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanimidamide is CN1CC(NCCC(N)=NO)CCC1=O.
What is the InChIKey of N'-hydroxy-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanimidamide?
The InChIKey is BCLLFQZQESMFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-13-6-7(2-3-9(13)14)11-5-4-8(10)12-15/h7,11,15H,2-6H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanimidamide?
N'-hydroxy-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanimidamide has a molecular weight of 214.27 g/mol, XLogP of -0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(1-methyl-6-oxopiperidin-3-yl)amino]propanimidamide is sourced from PubChem (CID 77055284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).