N-(1-ethanimidoylpiperidin-4-yl)acetamide

C9H17N3O — CID 89316575

IUPACN-(1-ethanimidoylpiperidin-4-yl)acetamide
SMILES[H]/N=C(\C)N1CCC(NC(C)=O)CC1
InChIInChI=1S/C9H17N3O/c1-7(10)12-5-3-9(4-6-12)11-8(2)13/h9-10H,3-6H2,1-2H3,(H,11,13)/b10-7+
InChIKeyYNFFATMNEHUTKW-JXMROGBWSA-N
MW183.25 g/mol
LogP0.58
Rot. Bonds1

About N-(1-ethanimidoylpiperidin-4-yl)acetamide

N-(1-ethanimidoylpiperidin-4-yl)acetamide (PubChem CID 89316575) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(1-ethanimidoylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-ethanimidoylpiperidin-4-yl)acetamide
PubChem CID89316575
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(1-ethanimidoylpiperidin-4-yl)acetamide
SMILES[H]/N=C(\C)N1CCC(NC(C)=O)CC1
InChIInChI=1S/C9H17N3O/c1-7(10)12-5-3-9(4-6-12)11-8(2)13/h9-10H,3-6H2,1-2H3,(H,11,13)/b10-7+
InChIKeyYNFFATMNEHUTKW-JXMROGBWSA-N
XLogP0.58
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethanimidoylpiperidin-4-yl)acetamide?
The IUPAC name of N-(1-ethanimidoylpiperidin-4-yl)acetamide (CID 89316575) is N-(1-ethanimidoylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-(1-ethanimidoylpiperidin-4-yl)acetamide?
The canonical SMILES for N-(1-ethanimidoylpiperidin-4-yl)acetamide is [H]/N=C(\C)N1CCC(NC(C)=O)CC1.
What is the InChIKey of N-(1-ethanimidoylpiperidin-4-yl)acetamide?
The InChIKey is YNFFATMNEHUTKW-JXMROGBWSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(10)12-5-3-9(4-6-12)11-8(2)13/h9-10H,3-6H2,1-2H3,(H,11,13)/b10-7+.
What are the key properties of N-(1-ethanimidoylpiperidin-4-yl)acetamide?
N-(1-ethanimidoylpiperidin-4-yl)acetamide has a molecular weight of 183.25 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethanimidoylpiperidin-4-yl)acetamide is sourced from PubChem (CID 89316575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).