dimethylamino-(4-oxo-4-piperidin-1-ylbutanoyl)azanium iodide

C11H22IN3O2 — CID 155907343

IUPACdimethylamino-(4-oxo-4-piperidin-1-ylbutanoyl)azanium iodide
SMILESCN(C)[NH2+]C(=O)CCC(=O)N1CCCCC1.[I-]
InChIInChI=1S/C11H21N3O2.HI/c1-13(2)12-10(15)6-7-11(16)14-8-4-3-5-9-14;/h3-9H2,1-2H3,(H,12,15);1H
InChIKeyCLCWSKWGNPMPGN-UHFFFAOYSA-N
MW355.22 g/mol
LogP-3.65
Rot. Bonds4

About dimethylamino-(4-oxo-4-piperidin-1-ylbutanoyl)azanium iodide

dimethylamino-(4-oxo-4-piperidin-1-ylbutanoyl)azanium iodide (PubChem CID 155907343) has the molecular formula C11H22IN3O2 and a molecular weight of 355.22 g/mol. Its IUPAC name is dimethylamino-(4-oxo-4-piperidin-1-ylbutanoyl)azanium iodide.

Molecular Properties

Compound Namedimethylamino-(4-oxo-4-piperidin-1-ylbutanoyl)azanium iodide
PubChem CID155907343
Molecular FormulaC11H22IN3O2
Molecular Weight355.22 g/mol
Exact Mass355.08
IUPAC Namedimethylamino-(4-oxo-4-piperidin-1-ylbutanoyl)azanium iodide
SMILESCN(C)[NH2+]C(=O)CCC(=O)N1CCCCC1.[I-]
InChIInChI=1S/C11H21N3O2.HI/c1-13(2)12-10(15)6-7-11(16)14-8-4-3-5-9-14;/h3-9H2,1-2H3,(H,12,15);1H
InChIKeyCLCWSKWGNPMPGN-UHFFFAOYSA-N
XLogP-3.65
TPSA57.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 5-3.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylamino-(4-oxo-4-piperidin-1-ylbutanoyl)azanium iodide?
The IUPAC name of dimethylamino-(4-oxo-4-piperidin-1-ylbutanoyl)azanium iodide (CID 155907343) is dimethylamino-(4-oxo-4-piperidin-1-ylbutanoyl)azanium iodide.
What is the SMILES notation for dimethylamino-(4-oxo-4-piperidin-1-ylbutanoyl)azanium iodide?
The canonical SMILES for dimethylamino-(4-oxo-4-piperidin-1-ylbutanoyl)azanium iodide is CN(C)[NH2+]C(=O)CCC(=O)N1CCCCC1.[I-].
What is the InChIKey of dimethylamino-(4-oxo-4-piperidin-1-ylbutanoyl)azanium iodide?
The InChIKey is CLCWSKWGNPMPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2.HI/c1-13(2)12-10(15)6-7-11(16)14-8-4-3-5-9-14;/h3-9H2,1-2H3,(H,12,15);1H.
What are the key properties of dimethylamino-(4-oxo-4-piperidin-1-ylbutanoyl)azanium iodide?
dimethylamino-(4-oxo-4-piperidin-1-ylbutanoyl)azanium iodide has a molecular weight of 355.22 g/mol, XLogP of -3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-(4-oxo-4-piperidin-1-ylbutanoyl)azanium iodide is sourced from PubChem (CID 155907343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).