N'-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidine-1-carboximidamide

C14H22N4O — CID 122098058

IUPACN'-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2cnc(C3CC3)o2)C1
InChIInChI=1S/C14H22N4O/c1-10-3-2-6-18(9-10)14(15)17-8-12-7-16-13(19-12)11-4-5-11/h7,10-11H,2-6,8-9H2,1H3,(H2,15,17)
InChIKeyYAXRTWPATXPFBM-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.10
Rot. Bonds3

About N'-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidine-1-carboximidamide

N'-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 122098058) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N'-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidine-1-carboximidamide
PubChem CID122098058
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN'-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2cnc(C3CC3)o2)C1
InChIInChI=1S/C14H22N4O/c1-10-3-2-6-18(9-10)14(15)17-8-12-7-16-13(19-12)11-4-5-11/h7,10-11H,2-6,8-9H2,1H3,(H2,15,17)
InChIKeyYAXRTWPATXPFBM-UHFFFAOYSA-N
XLogP2.10
TPSA67.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.10
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'-(furan-2-ylmethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111022379
3-methyl-N'-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111081464
N'-[(5-methoxy-2-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 120580585
3-methyl-N'-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]piperidine-1-carboximidamide
CID 122097455
N'-[(2,5-dimethylfuran-3-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111813204
N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111078920
N'-(3,6-dihydro-2H-pyran-4-ylmethyl)-3-methylpiperidine-1-carboximidamide
CID 122097184
3-methyl-N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111023364
N'-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-methylpiperidine-1-carboximidamide
CID 119147378
3-methyl-N'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111820137
N'-[(5-ethylthiophen-2-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111065039
methyl 5-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-methylfuran-3-carboxylate
CID 119119295

Frequently Asked Questions

What is the IUPAC name of N'-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidine-1-carboximidamide (CID 122098058) is N'-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/Cc2cnc(C3CC3)o2)C1.
What is the InChIKey of N'-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is YAXRTWPATXPFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-3-2-6-18(9-10)14(15)17-8-12-7-16-13(19-12)11-4-5-11/h7,10-11H,2-6,8-9H2,1H3,(H2,15,17).
What are the key properties of N'-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidine-1-carboximidamide?
N'-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 122098058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).