N'-hydroxy-4-[[(6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide

C13H18N4O2 — CID 77027848

IUPACN'-hydroxy-4-[[(6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
SMILESNC(=NO)c1ccc(CNC2CCC(=O)NC2)cc1
InChIInChI=1S/C13H18N4O2/c14-13(17-19)10-3-1-9(2-4-10)7-15-11-5-6-12(18)16-8-11/h1-4,11,15,19H,5-8H2,(H2,14,17)(H,16,18)
InChIKeyXKKCRVZGIXEBPZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.15
Rot. Bonds4

About N'-hydroxy-4-[[(6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide

N'-hydroxy-4-[[(6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide (PubChem CID 77027848) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N'-hydroxy-4-[[(6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[(6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
PubChem CID77027848
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN'-hydroxy-4-[[(6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
SMILESNC(=NO)c1ccc(CNC2CCC(=O)NC2)cc1
InChIInChI=1S/C13H18N4O2/c14-13(17-19)10-3-1-9(2-4-10)7-15-11-5-6-12(18)16-8-11/h1-4,11,15,19H,5-8H2,(H2,14,17)(H,16,18)
InChIKeyXKKCRVZGIXEBPZ-UHFFFAOYSA-N
XLogP0.15
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.15
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-4-[[(6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[[(6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide (CID 77027848) is N'-hydroxy-4-[[(6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[[(6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[[(6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide is NC(=NO)c1ccc(CNC2CCC(=O)NC2)cc1.
What is the InChIKey of N'-hydroxy-4-[[(6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide?
The InChIKey is XKKCRVZGIXEBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-13(17-19)10-3-1-9(2-4-10)7-15-11-5-6-12(18)16-8-11/h1-4,11,15,19H,5-8H2,(H2,14,17)(H,16,18).
What are the key properties of N'-hydroxy-4-[[(6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide?
N'-hydroxy-4-[[(6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide has a molecular weight of 262.31 g/mol, XLogP of 0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[(6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 77027848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).