1-[4-(methyliodanuidylmethoxy)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone

C15H28IN2O2- — CID 177010954

IUPAC1-[4-(methyliodanuidylmethoxy)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
SMILESC[I-]COC1CCN(C(=O)CN2CCC(C)CC2)CC1
InChIInChI=1S/C15H28IN2O2/c1-13-3-7-17(8-4-13)11-15(19)18-9-5-14(6-10-18)20-12-16-2/h13-14H,3-12H2,1-2H3/q-1
InChIKeyGAXFTFIBEXLHHG-UHFFFAOYSA-N
MW395.31 g/mol
LogP-1.60
Rot. Bonds5

About 1-[4-(methyliodanuidylmethoxy)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone

1-[4-(methyliodanuidylmethoxy)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone (PubChem CID 177010954) has the molecular formula C15H28IN2O2- and a molecular weight of 395.31 g/mol. Its IUPAC name is 1-[4-(methyliodanuidylmethoxy)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(methyliodanuidylmethoxy)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
PubChem CID177010954
Molecular FormulaC15H28IN2O2-
Molecular Weight395.31 g/mol
Exact Mass395.12
IUPAC Name1-[4-(methyliodanuidylmethoxy)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
SMILESC[I-]COC1CCN(C(=O)CN2CCC(C)CC2)CC1
InChIInChI=1S/C15H28IN2O2/c1-13-3-7-17(8-4-13)11-15(19)18-9-5-14(6-10-18)20-12-16-2/h13-14H,3-12H2,1-2H3/q-1
InChIKeyGAXFTFIBEXLHHG-UHFFFAOYSA-N
XLogP-1.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 5-1.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methyliodanuidylmethoxy)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-[4-(methyliodanuidylmethoxy)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone (CID 177010954) is 1-[4-(methyliodanuidylmethoxy)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-[4-(methyliodanuidylmethoxy)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-[4-(methyliodanuidylmethoxy)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone is C[I-]COC1CCN(C(=O)CN2CCC(C)CC2)CC1.
What is the InChIKey of 1-[4-(methyliodanuidylmethoxy)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is GAXFTFIBEXLHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28IN2O2/c1-13-3-7-17(8-4-13)11-15(19)18-9-5-14(6-10-18)20-12-16-2/h13-14H,3-12H2,1-2H3/q-1.
What are the key properties of 1-[4-(methyliodanuidylmethoxy)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone?
1-[4-(methyliodanuidylmethoxy)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 395.31 g/mol, XLogP of -1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methyliodanuidylmethoxy)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 177010954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).