4-methyl-N'-(1,2-oxazol-3-ylmethyl)piperidine-1-carboximidamide

C11H18N4O — CID 111601356

IUPAC4-methyl-N'-(1,2-oxazol-3-ylmethyl)piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/Cc2ccon2)CC1
InChIInChI=1S/C11H18N4O/c1-9-2-5-15(6-3-9)11(12)13-8-10-4-7-16-14-10/h4,7,9H,2-3,5-6,8H2,1H3,(H2,12,13)
InChIKeyXODVFGBQROIHJZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.22
Rot. Bonds2

About 4-methyl-N'-(1,2-oxazol-3-ylmethyl)piperidine-1-carboximidamide

4-methyl-N'-(1,2-oxazol-3-ylmethyl)piperidine-1-carboximidamide (PubChem CID 111601356) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-methyl-N'-(1,2-oxazol-3-ylmethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-(1,2-oxazol-3-ylmethyl)piperidine-1-carboximidamide
PubChem CID111601356
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-methyl-N'-(1,2-oxazol-3-ylmethyl)piperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/Cc2ccon2)CC1
InChIInChI=1S/C11H18N4O/c1-9-2-5-15(6-3-9)11(12)13-8-10-4-7-16-14-10/h4,7,9H,2-3,5-6,8H2,1H3,(H2,12,13)
InChIKeyXODVFGBQROIHJZ-UHFFFAOYSA-N
XLogP1.22
TPSA67.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(1,3-benzodioxol-5-ylmethyl)-4-methylpiperidine-1-carboximidamide
CID 110919465
N'-[[2-(hydroxymethyl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110920840
4-methyl-N'-[(1-methylpyrrol-2-yl)methyl]piperidine-1-carboximidamide
CID 119146676
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110919433
N'-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110920712
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935085
N'-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920159
4-methyl-N'-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboximidamide
CID 110920726
4-methyl-N'-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-1-carboximidamide
CID 110919839
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-(1,2-oxazol-3-ylmethyl)guanidine
CID 111601362
4-methyl-N'-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide
CID 120602708
N'-[(3-bromo-4-methoxyphenyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110927914

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(1,2-oxazol-3-ylmethyl)piperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-(1,2-oxazol-3-ylmethyl)piperidine-1-carboximidamide (CID 111601356) is 4-methyl-N'-(1,2-oxazol-3-ylmethyl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-(1,2-oxazol-3-ylmethyl)piperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-(1,2-oxazol-3-ylmethyl)piperidine-1-carboximidamide is CC1CCN(/C(N)=N/Cc2ccon2)CC1.
What is the InChIKey of 4-methyl-N'-(1,2-oxazol-3-ylmethyl)piperidine-1-carboximidamide?
The InChIKey is XODVFGBQROIHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9-2-5-15(6-3-9)11(12)13-8-10-4-7-16-14-10/h4,7,9H,2-3,5-6,8H2,1H3,(H2,12,13).
What are the key properties of 4-methyl-N'-(1,2-oxazol-3-ylmethyl)piperidine-1-carboximidamide?
4-methyl-N'-(1,2-oxazol-3-ylmethyl)piperidine-1-carboximidamide has a molecular weight of 222.29 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(1,2-oxazol-3-ylmethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111601356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).