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

C8H14N2O — CID 54121095

IUPAC2-(1-methylpiperidin-4-ylidene)acetamide
SMILESCN1CCC(=CC(N)=O)CC1
InChIInChI=1S/C8H14N2O/c1-10-4-2-7(3-5-10)6-8(9)11/h6H,2-5H2,1H3,(H2,9,11)
InChIKeyOPLVECZXQLYBJF-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.12
Rot. Bonds1

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

2-(1-methylpiperidin-4-ylidene)acetamide (PubChem CID 54121095) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-ylidene)acetamide.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-ylidene)acetamide
PubChem CID54121095
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(1-methylpiperidin-4-ylidene)acetamide
SMILESCN1CCC(=CC(N)=O)CC1
InChIInChI=1S/C8H14N2O/c1-10-4-2-7(3-5-10)6-8(9)11/h6H,2-5H2,1H3,(H2,9,11)
InChIKeyOPLVECZXQLYBJF-UHFFFAOYSA-N
XLogP0.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.12
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?
The IUPAC name of 2-(1-methylpiperidin-4-ylidene)acetamide (CID 54121095) is 2-(1-methylpiperidin-4-ylidene)acetamide.
What is the SMILES notation for 2-(1-methylpiperidin-4-ylidene)acetamide?
The canonical SMILES for 2-(1-methylpiperidin-4-ylidene)acetamide is CN1CCC(=CC(N)=O)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-ylidene)acetamide?
The InChIKey is OPLVECZXQLYBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-10-4-2-7(3-5-10)6-8(9)11/h6H,2-5H2,1H3,(H2,9,11).
What are the key properties of 2-(1-methylpiperidin-4-ylidene)acetamide?
2-(1-methylpiperidin-4-ylidene)acetamide has a molecular weight of 154.21 g/mol, XLogP of 0.12, 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 is sourced from PubChem (CID 54121095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).