N-ethyl-N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide

C20H36N6O2 — CID 109446985

IUPACN-ethyl-N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESCCN/C(=N\CCn1cnnc1CC)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C20H36N6O2/c1-3-19-24-23-16-26(19)13-10-22-20(21-4-2)25-11-8-17(9-12-25)28-15-18-7-5-6-14-27-18/h16-18H,3-15H2,1-2H3,(H,21,22)
InChIKeyYVKJQKNWCFXHKS-UHFFFAOYSA-N
MW392.55 g/mol
LogP1.86
Rot. Bonds8

About N-ethyl-N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide

N-ethyl-N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide (PubChem CID 109446985) has the molecular formula C20H36N6O2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-ethyl-N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
PubChem CID109446985
Molecular FormulaC20H36N6O2
Molecular Weight392.55 g/mol
Exact Mass392.29
IUPAC NameN-ethyl-N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESCCN/C(=N\CCn1cnnc1CC)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C20H36N6O2/c1-3-19-24-23-16-26(19)13-10-22-20(21-4-2)25-11-8-17(9-12-25)28-15-18-7-5-6-14-27-18/h16-18H,3-15H2,1-2H3,(H,21,22)
InChIKeyYVKJQKNWCFXHKS-UHFFFAOYSA-N
XLogP1.86
TPSA76.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-ethyl-N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-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-ethyl-4-(oxan-2-ylmethoxy)-N'-[4-(1,2,4-triazol-4-yl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 109449868
N-ethyl-N'-(2-hydroxyethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448641
N-ethyl-4-(oxan-2-ylmethoxy)-N'-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109447622
N-ethyl-N'-[2-(4-ethylphenyl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109450239
N-ethyl-4-(oxan-2-ylmethoxy)-N'-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-1-carboximidamide
CID 109449047
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109450349
N'-(3-cyclopentyloxypropyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449097
N-[2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]ethyl]acetamide
CID 109447633
N-ethyl-N'-[2-(1-methylpyrazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449066
N'-[4-(diethylamino)butyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449991
N-ethyl-2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 109447610
N-ethyl-N'-[3-(1-methylpyrazol-4-yl)propyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449056

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide (CID 109446985) is N-ethyl-N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide is CCN/C(=N\CCn1cnnc1CC)N1CCC(OCC2CCCCO2)CC1.
What is the InChIKey of N-ethyl-N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The InChIKey is YVKJQKNWCFXHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N6O2/c1-3-19-24-23-16-26(19)13-10-22-20(21-4-2)25-11-8-17(9-12-25)28-15-18-7-5-6-14-27-18/h16-18H,3-15H2,1-2H3,(H,21,22).
What are the key properties of N-ethyl-N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
N-ethyl-N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide has a molecular weight of 392.55 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide is sourced from PubChem (CID 109446985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).