N'-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

C19H37IN4O — CID 119147169

IUPACN'-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCOC1CCN(C2(C/N=C(\N)N3CCCC(C)C3)CCCC2)CC1.I
InChIInChI=1S/C19H36N4O.HI/c1-16-6-5-11-22(14-16)18(20)21-15-19(9-3-4-10-19)23-12-7-17(24-2)8-13-23;/h16-17H,3-15H2,1-2H3,(H2,20,21);1H
InChIKeyRYMOFEJRLVACIS-UHFFFAOYSA-N
MW464.44 g/mol
LogP3.07
Rot. Bonds4

About N'-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

N'-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 119147169) has the molecular formula C19H37IN4O and a molecular weight of 464.44 g/mol. Its IUPAC name is N'-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID119147169
Molecular FormulaC19H37IN4O
Molecular Weight464.44 g/mol
Exact Mass464.20
IUPAC NameN'-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCOC1CCN(C2(C/N=C(\N)N3CCCC(C)C3)CCCC2)CC1.I
InChIInChI=1S/C19H36N4O.HI/c1-16-6-5-11-22(14-16)18(20)21-15-19(9-3-4-10-19)23-12-7-17(24-2)8-13-23;/h16-17H,3-15H2,1-2H3,(H2,20,21);1H
InChIKeyRYMOFEJRLVACIS-UHFFFAOYSA-N
XLogP3.07
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.44
LogP ≤ 53.07
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-methoxy-1-methylcyclohexyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 120662356
N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111088654
3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111970356
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 91642293
3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111038838
N'-[(1-thiomorpholin-4-ylcyclopentyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111067655
N'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide
CID 122096742
N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111098316
2-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 119147176
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111091582
(3R)-N'-hydroxy-3-methylpiperidine-1-carboximidamide
CID 166099569

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 119147169) is N'-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is COC1CCN(C2(C/N=C(\N)N3CCCC(C)C3)CCCC2)CC1.I.
What is the InChIKey of N'-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is RYMOFEJRLVACIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O.HI/c1-16-6-5-11-22(14-16)18(20)21-15-19(9-3-4-10-19)23-12-7-17(24-2)8-13-23;/h16-17H,3-15H2,1-2H3,(H2,20,21);1H.
What are the key properties of N'-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 464.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119147169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).