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

C13H18N4O2 — CID 77030094

IUPACN'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
SMILESNC(=NO)c1cccc(CNC2CCCNC2=O)c1
InChIInChI=1S/C13H18N4O2/c14-12(17-19)10-4-1-3-9(7-10)8-16-11-5-2-6-15-13(11)18/h1,3-4,7,11,16,19H,2,5-6,8H2,(H2,14,17)(H,15,18)
InChIKeyJXOZUENVGVHFPU-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.15
Rot. Bonds4

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

N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide (PubChem CID 77030094) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
PubChem CID77030094
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
SMILESNC(=NO)c1cccc(CNC2CCCNC2=O)c1
InChIInChI=1S/C13H18N4O2/c14-12(17-19)10-4-1-3-9(7-10)8-16-11-5-2-6-15-13(11)18/h1,3-4,7,11,16,19H,2,5-6,8H2,(H2,14,17)(H,15,18)
InChIKeyJXOZUENVGVHFPU-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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Related Compounds

3-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77109740
3-[(3-ethoxyphenyl)methylamino]piperidin-2-one
CID 62092858
(3S)-3-(benzylamino)azepan-2-one
CID 40582762
N'-hydroxy-2-[(2-oxopiperidin-3-yl)amino]ethanimidamide
CID 77030299
3-[[3-(trifluoromethyl)phenyl]methylamino]azepan-2-one
CID 43199156
3-[(3,4-dimethylphenyl)methylamino]piperidin-2-one
CID 55033629
N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclobutanecarboxamide
CID 76932795
3-[(cyclohex-3-en-1-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77075368
N'-hydroxy-3-[(oxolan-3-ylamino)methyl]benzenecarboximidamide
CID 80713948
2-fluoro-5-[[(2-oxopiperidin-3-yl)amino]methyl]benzonitrile
CID 114012119
N'-hydroxy-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide
CID 114629959
3-[(2-aminophenyl)methylamino]piperidin-2-one
CID 66417485

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide (CID 77030094) is N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide is NC(=NO)c1cccc(CNC2CCCNC2=O)c1.
What is the InChIKey of N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide?
The InChIKey is JXOZUENVGVHFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-12(17-19)10-4-1-3-9(7-10)8-16-11-5-2-6-15-13(11)18/h1,3-4,7,11,16,19H,2,5-6,8H2,(H2,14,17)(H,15,18).
What are the key properties of N'-hydroxy-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide?
N'-hydroxy-3-[[(2-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-3-[[(2-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 77030094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).