N'-hydroxy-4-[(2-oxopiperidin-1-yl)methyl]benzenecarboximidamide

C13H17N3O2 — CID 137352142

IUPACN'-hydroxy-4-[(2-oxopiperidin-1-yl)methyl]benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(CN2CCCCC2=O)cc1
InChIInChI=1S/C13H17N3O2/c14-13(15-18)11-6-4-10(5-7-11)9-16-8-2-1-3-12(16)17/h4-7,18H,1-3,8-9H2,(H2,14,15)
InChIKeyOPXXNFTTWHWJRJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.29
Rot. Bonds3

About N'-hydroxy-4-[(2-oxopiperidin-1-yl)methyl]benzenecarboximidamide

N'-hydroxy-4-[(2-oxopiperidin-1-yl)methyl]benzenecarboximidamide (PubChem CID 137352142) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N'-hydroxy-4-[(2-oxopiperidin-1-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(2-oxopiperidin-1-yl)methyl]benzenecarboximidamide
PubChem CID137352142
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN'-hydroxy-4-[(2-oxopiperidin-1-yl)methyl]benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(CN2CCCCC2=O)cc1
InChIInChI=1S/C13H17N3O2/c14-13(15-18)11-6-4-10(5-7-11)9-16-8-2-1-3-12(16)17/h4-7,18H,1-3,8-9H2,(H2,14,15)
InChIKeyOPXXNFTTWHWJRJ-UHFFFAOYSA-N
XLogP1.29
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

6-(3-oxo-3-piperidinopropyl)-3-phenyl-1,2,4-triazin-5(2H)-one
CID 135868782
3-(4-methylphenyl)-6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-4H-1,2,4-triazin-5-one
CID 135868969
N'-hydroxy-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenecarboximidamide
CID 9645698
4,4-Dimethyl-1-[[4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-2,6-dione
CID 162346906
N'-[2-oxo-2-(1-piperidinyl)ethoxy]benzenecarboximidamide
CID 140576107
N'-hydroxy-4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenecarboximidamide
CID 4078757
1-[[4-(Aminomethyl)-2-fluorophenyl]methyl]piperidin-2-one
CID 28824040
2-cyclopropyl-N-[[2-fluoro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]methyl]acetamide
CID 55189835
2-cyclopropyl-N-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]acetamide
CID 76210010
4-(N'-hydroxycarbamimidoyl)-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 76912636
3,3,3-trifluoro-N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]propanamide
CID 76939188
N-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]cyclohexanecarboxamide
CID 76995371

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(2-oxopiperidin-1-yl)methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[(2-oxopiperidin-1-yl)methyl]benzenecarboximidamide (CID 137352142) is N'-hydroxy-4-[(2-oxopiperidin-1-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(2-oxopiperidin-1-yl)methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[(2-oxopiperidin-1-yl)methyl]benzenecarboximidamide is N/C(=N\O)c1ccc(CN2CCCCC2=O)cc1.
What is the InChIKey of N'-hydroxy-4-[(2-oxopiperidin-1-yl)methyl]benzenecarboximidamide?
The InChIKey is OPXXNFTTWHWJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-13(15-18)11-6-4-10(5-7-11)9-16-8-2-1-3-12(16)17/h4-7,18H,1-3,8-9H2,(H2,14,15).
What are the key properties of N'-hydroxy-4-[(2-oxopiperidin-1-yl)methyl]benzenecarboximidamide?
N'-hydroxy-4-[(2-oxopiperidin-1-yl)methyl]benzenecarboximidamide has a molecular weight of 247.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(2-oxopiperidin-1-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 137352142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).