2-(1-methylpiperidin-4-ylidene)acetamide;dihydrochloride

C8H16Cl2N2O — CID 142732961

IUPAC2-(1-methylpiperidin-4-ylidene)acetamide;dihydrochloride
SMILESCN1CCC(=CC(N)=O)CC1.Cl.Cl
InChIInChI=1S/C8H14N2O.2ClH/c1-10-4-2-7(3-5-10)6-8(9)11;;/h6H,2-5H2,1H3,(H2,9,11);2*1H
InChIKeyZYKUZJGLUHYFHR-UHFFFAOYSA-N
MW227.13 g/mol
LogP0.97
Rot. Bonds1

About 2-(1-methylpiperidin-4-ylidene)acetamide;dihydrochloride

2-(1-methylpiperidin-4-ylidene)acetamide;dihydrochloride (PubChem CID 142732961) has the molecular formula C8H16Cl2N2O and a molecular weight of 227.13 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-ylidene)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-ylidene)acetamide;dihydrochloride
PubChem CID142732961
Molecular FormulaC8H16Cl2N2O
Molecular Weight227.13 g/mol
Exact Mass226.06
IUPAC Name2-(1-methylpiperidin-4-ylidene)acetamide;dihydrochloride
SMILESCN1CCC(=CC(N)=O)CC1.Cl.Cl
InChIInChI=1S/C8H14N2O.2ClH/c1-10-4-2-7(3-5-10)6-8(9)11;;/h6H,2-5H2,1H3,(H2,9,11);2*1H
InChIKeyZYKUZJGLUHYFHR-UHFFFAOYSA-N
XLogP0.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-ylidene)acetamide;dihydrochloride?
The IUPAC name of 2-(1-methylpiperidin-4-ylidene)acetamide;dihydrochloride (CID 142732961) is 2-(1-methylpiperidin-4-ylidene)acetamide;dihydrochloride.
What is the SMILES notation for 2-(1-methylpiperidin-4-ylidene)acetamide;dihydrochloride?
The canonical SMILES for 2-(1-methylpiperidin-4-ylidene)acetamide;dihydrochloride is CN1CCC(=CC(N)=O)CC1.Cl.Cl.
What is the InChIKey of 2-(1-methylpiperidin-4-ylidene)acetamide;dihydrochloride?
The InChIKey is ZYKUZJGLUHYFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.2ClH/c1-10-4-2-7(3-5-10)6-8(9)11;;/h6H,2-5H2,1H3,(H2,9,11);2*1H.
What are the key properties of 2-(1-methylpiperidin-4-ylidene)acetamide;dihydrochloride?
2-(1-methylpiperidin-4-ylidene)acetamide;dihydrochloride has a molecular weight of 227.13 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-ylidene)acetamide;dihydrochloride is sourced from PubChem (CID 142732961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).