N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide

C19H34N4O — CID 109490904

IUPACN'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/CCc2c(C)noc2C)NCC)C1
InChIInChI=1S/C19H34N4O/c1-6-10-19(5)11-8-13-23(14-19)18(20-7-2)21-12-9-17-15(3)22-24-16(17)4/h6-14H2,1-5H3,(H,20,21)
InChIKeyJDKJGZTXFCNJSY-UHFFFAOYSA-N
MW334.51 g/mol
LogP3.70
Rot. Bonds6

About N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide

N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide (PubChem CID 109490904) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide
PubChem CID109490904
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC NameN'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/CCc2c(C)noc2C)NCC)C1
InChIInChI=1S/C19H34N4O/c1-6-10-19(5)11-8-13-23(14-19)18(20-7-2)21-12-9-17-15(3)22-24-16(17)4/h6-14H2,1-5H3,(H,20,21)
InChIKeyJDKJGZTXFCNJSY-UHFFFAOYSA-N
XLogP3.70
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 53.70
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'}

Analyze N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 119158725
N-ethyl-3-methyl-N'-(3-morpholin-4-ylpropyl)-3-propylpiperidine-1-carboximidamide
CID 109490860
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
N-ethyl-3-methyl-3-propyl-N'-(2-pyrazol-1-ylethyl)piperidine-1-carboximidamide
CID 109490782
N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119158479
N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490488
N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486966
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 119145309
N-ethyl-3-methyl-N'-[3-(oxan-4-yloxy)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490911
N-ethyl-N'-[2-(methanesulfonamido)-2-methylpropyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490799
N-ethyl-3-methyl-3-propyl-N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboximidamide
CID 109490790
3-[2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]ethyl]-N-methylbenzamide
CID 109490910

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide (CID 109490904) is N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide is CCCC1(C)CCCN(/C(=N/CCc2c(C)noc2C)NCC)C1.
What is the InChIKey of N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide?
The InChIKey is JDKJGZTXFCNJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-6-10-19(5)11-8-13-23(14-19)18(20-7-2)21-12-9-17-15(3)22-24-16(17)4/h6-14H2,1-5H3,(H,20,21).
What are the key properties of N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide?
N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide has a molecular weight of 334.51 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 109490904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).