N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide

C15H27IN4O — CID 111153219

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1nc(C)c(C)o1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C15H26N4O.HI/c1-10-6-11(2)9-19(8-10)15(16-5)17-7-14-18-12(3)13(4)20-14;/h10-11H,6-9H2,1-5H3,(H,16,17);1H
InChIKeyAWAGHCJMQZIRHZ-UHFFFAOYSA-N
MW406.31 g/mol
LogP2.96
Rot. Bonds2

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111153219) has the molecular formula C15H27IN4O and a molecular weight of 406.31 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111153219
Molecular FormulaC15H27IN4O
Molecular Weight406.31 g/mol
Exact Mass406.12
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1nc(C)c(C)o1)N1CC(C)CC(C)C1.I
InChIInChI=1S/C15H26N4O.HI/c1-10-6-11(2)9-19(8-10)15(16-5)17-7-14-18-12(3)13(4)20-14;/h10-11H,6-9H2,1-5H3,(H,16,17);1H
InChIKeyAWAGHCJMQZIRHZ-UHFFFAOYSA-N
XLogP2.96
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 52.96
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111143968
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111744100
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111740072
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111184436
4-(3-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111186736
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]guanidine
CID 109428893
N-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111154391
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 109429668
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 109429158
N',3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111153617
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(4-ethylcyclohexyl)methyl]-2-methylguanidine;hydroiodide
CID 109431216
4-acetyl-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 119159287

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide (CID 111153219) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCc1nc(C)c(C)o1)N1CC(C)CC(C)C1.I.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is AWAGHCJMQZIRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O.HI/c1-10-6-11(2)9-19(8-10)15(16-5)17-7-14-18-12(3)13(4)20-14;/h10-11H,6-9H2,1-5H3,(H,16,17);1H.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 406.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111153219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).