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

C14H26IN5O — CID 111210780

IUPACN',4-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCc1nc(C)no1)N1CCC(C)CC1.I
InChIInChI=1S/C14H25N5O.HI/c1-11-6-9-19(10-7-11)14(15-3)16-8-4-5-13-17-12(2)18-20-13;/h11H,4-10H2,1-3H3,(H,15,16);1H
InChIKeyUBJWQDLZGYBAEK-UHFFFAOYSA-N
MW407.30 g/mol
LogP2.24
Rot. Bonds4

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

N',4-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111210780) has the molecular formula C14H26IN5O and a molecular weight of 407.30 g/mol. Its IUPAC name is N',4-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',4-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111210780
Molecular FormulaC14H26IN5O
Molecular Weight407.30 g/mol
Exact Mass407.12
IUPAC NameN',4-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCc1nc(C)no1)N1CCC(C)CC1.I
InChIInChI=1S/C14H25N5O.HI/c1-11-6-9-19(10-7-11)14(15-3)16-8-4-5-13-17-12(2)18-20-13;/h11H,4-10H2,1-3H3,(H,15,16);1H
InChIKeyUBJWQDLZGYBAEK-UHFFFAOYSA-N
XLogP2.24
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111743684
4-ethoxy-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111960298
3-(4-methoxyphenyl)-N'-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111732204
N',2,2-trimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109487932
N',4-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111212148
4-methyl-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 110930254
N',4-dimethyl-N-pentylpiperidine-1-carboximidamide;hydroiodide
CID 111210302
1-[3-(azepan-1-yl)propyl]-2-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]guanidine;hydroiodide
CID 111324853
N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744445
N',4-dimethyl-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 111210681
N',4-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111211910
1-[2-(azepan-1-yl)-3-methylbutyl]-2-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 111937281

Frequently Asked Questions

What is the IUPAC name of N',4-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',4-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboximidamide;hydroiodide (CID 111210780) is N',4-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',4-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',4-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboximidamide;hydroiodide is C/N=C(\NCCCc1nc(C)no1)N1CCC(C)CC1.I.
What is the InChIKey of N',4-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is UBJWQDLZGYBAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O.HI/c1-11-6-9-19(10-7-11)14(15-3)16-8-4-5-13-17-12(2)18-20-13;/h11H,4-10H2,1-3H3,(H,15,16);1H.
What are the key properties of N',4-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboximidamide;hydroiodide?
N',4-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 407.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-dimethyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111210780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).