N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide

C18H25IN4O2 — CID 111810695

IUPACN'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCCN1C(=O)c2ccccc2C1=O)N1CCCCC1
InChIInChI=1S/C18H24N4O2.HI/c19-18(21-11-5-1-6-12-21)20-10-4-7-13-22-16(23)14-8-2-3-9-15(14)17(22)24;/h2-3,8-9H,1,4-7,10-13H2,(H2,19,20);1H
InChIKeyIYAISEAPHDBURC-UHFFFAOYSA-N
MW456.33 g/mol
LogP2.48
Rot. Bonds5

About N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide

N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111810695) has the molecular formula C18H25IN4O2 and a molecular weight of 456.33 g/mol. Its IUPAC name is N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111810695
Molecular FormulaC18H25IN4O2
Molecular Weight456.33 g/mol
Exact Mass456.10
IUPAC NameN'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CCCCN1C(=O)c2ccccc2C1=O)N1CCCCC1
InChIInChI=1S/C18H24N4O2.HI/c19-18(21-11-5-1-6-12-21)20-10-4-7-13-22-16(23)14-8-2-3-9-15(14)17(22)24;/h2-3,8-9H,1,4-7,10-13H2,(H2,19,20);1H
InChIKeyIYAISEAPHDBURC-UHFFFAOYSA-N
XLogP2.48
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione
CID 802386
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182
(2-oxo-2-piperidin-1-ylethyl) 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 55317694
N'-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119119813
benzyl 5-[[amino(azepan-1-yl)methylidene]amino]pentanoate;hydroiodide
CID 110028871
N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111034812
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
N'-(3-phenylsulfanylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111027125
5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 86775352
N'-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]piperidine-1-carboximidamide;hydroiodide
CID 86778447
4-(1,3-dioxoisoindol-2-yl)-N-piperidin-1-ylbutanamide
CID 9271276
2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-(4-methylphenyl)guanidine
CID 111810676

Frequently Asked Questions

What is the IUPAC name of N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide (CID 111810695) is N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\CCCCN1C(=O)c2ccccc2C1=O)N1CCCCC1.
What is the InChIKey of N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is IYAISEAPHDBURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.HI/c19-18(21-11-5-1-6-12-21)20-10-4-7-13-22-16(23)14-8-2-3-9-15(14)17(22)24;/h2-3,8-9H,1,4-7,10-13H2,(H2,19,20);1H.
What are the key properties of N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide?
N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 456.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1,3-dioxoisoindol-2-yl)butyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111810695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).