N-(2-imidazol-1-ylethyl)-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide

C16H29IN6 — CID 119143155

IUPACN-(2-imidazol-1-ylethyl)-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCn1ccnc1)N1CCC(N2CCCCC2)C1.I
InChIInChI=1S/C16H28N6.HI/c1-17-16(19-7-12-20-11-6-18-14-20)22-10-5-15(13-22)21-8-3-2-4-9-21;/h6,11,14-15H,2-5,7-10,12-13H2,1H3,(H,17,19);1H
InChIKeyTWRACJJPJXZAPM-UHFFFAOYSA-N
MW432.35 g/mol
LogP1.64
Rot. Bonds4

About N-(2-imidazol-1-ylethyl)-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide

N-(2-imidazol-1-ylethyl)-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 119143155) has the molecular formula C16H29IN6 and a molecular weight of 432.35 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID119143155
Molecular FormulaC16H29IN6
Molecular Weight432.35 g/mol
Exact Mass432.15
IUPAC NameN-(2-imidazol-1-ylethyl)-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCn1ccnc1)N1CCC(N2CCCCC2)C1.I
InChIInChI=1S/C16H28N6.HI/c1-17-16(19-7-12-20-11-6-18-14-20)22-10-5-15(13-22)21-8-3-2-4-9-21;/h6,11,14-15H,2-5,7-10,12-13H2,1H3,(H,17,19);1H
InChIKeyTWRACJJPJXZAPM-UHFFFAOYSA-N
XLogP1.64
TPSA48.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 51.64
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-(2-imidazol-1-ylethyl)-N'-methylcarbamimidoyl]piperidine-3-carboxylate
CID 110994517
3-benzyl-N-(2-imidazol-1-ylethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111725162
N-(3-imidazol-1-ylpropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723000
N'-methyl-3-piperidin-1-yl-N-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide
CID 119142987
N-(2-imidazol-1-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744786
N'-methyl-3-pyrrolidin-1-yl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111994544
N-(2-imidazol-1-ylethyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111739396
(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide
CID 95552903
3-benzyl-N-(3-imidazol-1-ylpropyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111724682
N'-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143243
N-(2-imidazol-1-ylethyl)-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961738
N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119156188

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide (CID 119143155) is N-(2-imidazol-1-ylethyl)-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(\NCCn1ccnc1)N1CCC(N2CCCCC2)C1.I.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is TWRACJJPJXZAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6.HI/c1-17-16(19-7-12-20-11-6-18-14-20)22-10-5-15(13-22)21-8-3-2-4-9-21;/h6,11,14-15H,2-5,7-10,12-13H2,1H3,(H,17,19);1H.
What are the key properties of N-(2-imidazol-1-ylethyl)-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide?
N-(2-imidazol-1-ylethyl)-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 432.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119143155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).