N-ethyl-3-methyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide

C13H24IN5O — CID 111144217

IUPACN-ethyl-3-methyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1nc(C)no1)N1CCCC(C)C1.I
InChIInChI=1S/C13H23N5O.HI/c1-4-14-13(18-7-5-6-10(2)9-18)15-8-12-16-11(3)17-19-12;/h10H,4-9H2,1-3H3,(H,14,15);1H
InChIKeyIRLGZDAJXJKJPP-UHFFFAOYSA-N
MW393.27 g/mol
LogP2.19
Rot. Bonds3

About N-ethyl-3-methyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide

N-ethyl-3-methyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111144217) has the molecular formula C13H24IN5O and a molecular weight of 393.27 g/mol. Its IUPAC name is N-ethyl-3-methyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111144217
Molecular FormulaC13H24IN5O
Molecular Weight393.27 g/mol
Exact Mass393.10
IUPAC NameN-ethyl-3-methyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1nc(C)no1)N1CCCC(C)C1.I
InChIInChI=1S/C13H23N5O.HI/c1-4-14-13(18-7-5-6-10(2)9-18)15-8-12-16-11(3)17-19-12;/h10H,4-9H2,1-3H3,(H,14,15);1H
InChIKeyIRLGZDAJXJKJPP-UHFFFAOYSA-N
XLogP2.19
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

ethyl 1-[N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110995068
N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479662
ethyl 4-[N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111163039
N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144379
N-ethyl-N'-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111744066
N-ethyl-N'-[(4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144647
N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperazine-1-carboximidamide
CID 110962139
N-ethyl-2,2,3,3-tetramethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109452008
N-ethyl-N'-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-pentan-3-ylpyrrolidine-1-carboximidamide
CID 111744067
N'-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111143751
N-ethyl-3-methyl-N'-prop-2-ynylpiperidine-1-carboximidamide;hydroiodide
CID 111144659
N-ethyl-N'-(2-ethyl-2-hydroxybutyl)-3-methylpiperidine-1-carboximidamide
CID 111144020

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-3-methyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 111144217) is N-ethyl-3-methyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-3-methyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-3-methyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\Cc1nc(C)no1)N1CCCC(C)C1.I.
What is the InChIKey of N-ethyl-3-methyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is IRLGZDAJXJKJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O.HI/c1-4-14-13(18-7-5-6-10(2)9-18)15-8-12-16-11(3)17-19-12;/h10H,4-9H2,1-3H3,(H,14,15);1H.
What are the key properties of N-ethyl-3-methyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
N-ethyl-3-methyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 393.27 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111144217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).