1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide

C18H27IN6O — CID 75468701

IUPAC1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1noc(C)n1)NC1CCCN(c2ccccc2)C1.I
InChIInChI=1S/C18H26N6O.HI/c1-3-19-18(20-12-17-21-14(2)25-23-17)22-15-8-7-11-24(13-15)16-9-5-4-6-10-16;/h4-6,9-10,15H,3,7-8,11-13H2,1-2H3,(H2,19,20,22);1H
InChIKeyOXCFLNXADYDCRC-UHFFFAOYSA-N
MW470.36 g/mol
LogP2.72
Rot. Bonds5

About 1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide

1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide (PubChem CID 75468701) has the molecular formula C18H27IN6O and a molecular weight of 470.36 g/mol. Its IUPAC name is 1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide
PubChem CID75468701
Molecular FormulaC18H27IN6O
Molecular Weight470.36 g/mol
Exact Mass470.13
IUPAC Name1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1noc(C)n1)NC1CCCN(c2ccccc2)C1.I
InChIInChI=1S/C18H26N6O.HI/c1-3-19-18(20-12-17-21-14(2)25-23-17)22-15-8-7-11-24(13-15)16-9-5-4-6-10-16;/h4-6,9-10,15H,3,7-8,11-13H2,1-2H3,(H2,19,20,22);1H
InChIKeyOXCFLNXADYDCRC-UHFFFAOYSA-N
XLogP2.72
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide 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

1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1-phenylpiperidin-4-yl)guanidine;hydroiodide
CID 75512865
2-benzyl-1-ethyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111908886
1-ethyl-2-[(1-hydroxycyclopentyl)methyl]-3-(1-phenylpiperidin-3-yl)guanidine
CID 111995287
1-(1-benzyl-2-methylpiperidin-4-yl)-3-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
CID 109457790
1-ethyl-2-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide
CID 111995140
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-3-ethylguanidine
CID 109463404
1-ethyl-3-[(1R,3R)-3-ethylcyclohexyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
CID 97056002
1-ethyl-2-[(4-fluorophenyl)methyl]-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111908834
1-ethyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide
CID 109395423
1-ethyl-2-[(3-methylthiophen-2-yl)methyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111910347
N-cyclohexyl-2-[[ethylamino-[(1-phenylpyrrolidin-3-yl)amino]methylidene]amino]acetamide;hydroiodide
CID 111909552
1-ethyl-2-(2-methoxyethyl)-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910668

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide (CID 75468701) is 1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide is CCN/C(=N\Cc1noc(C)n1)NC1CCCN(c2ccccc2)C1.I.
What is the InChIKey of 1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide?
The InChIKey is OXCFLNXADYDCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O.HI/c1-3-19-18(20-12-17-21-14(2)25-23-17)22-15-8-7-11-24(13-15)16-9-5-4-6-10-16;/h4-6,9-10,15H,3,7-8,11-13H2,1-2H3,(H2,19,20,22);1H.
What are the key properties of 1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide?
1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide has a molecular weight of 470.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1-phenylpiperidin-3-yl)guanidine;hydroiodide is sourced from PubChem (CID 75468701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).