(E)-N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide

C13H22N2O2 — CID 94151524

IUPAC(E)-N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide
SMILESCC/C=C(\C)C(=O)NC1CCN(C(C)=O)CC1
InChIInChI=1S/C13H22N2O2/c1-4-5-10(2)13(17)14-12-6-8-15(9-7-12)11(3)16/h5,12H,4,6-9H2,1-3H3,(H,14,17)/b10-5+
InChIKeyCVYKHLVVQAILJE-BJMVGYQFSA-N
MW238.33 g/mol
LogP1.47
Rot. Bonds3

About (E)-N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide

(E)-N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide (PubChem CID 94151524) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (E)-N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide
PubChem CID94151524
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(E)-N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide
SMILESCC/C=C(\C)C(=O)NC1CCN(C(C)=O)CC1
InChIInChI=1S/C13H22N2O2/c1-4-5-10(2)13(17)14-12-6-8-15(9-7-12)11(3)16/h5,12H,4,6-9H2,1-3H3,(H,14,17)/b10-5+
InChIKeyCVYKHLVVQAILJE-BJMVGYQFSA-N
XLogP1.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.47
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 (E)-N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide?
The IUPAC name of (E)-N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide (CID 94151524) is (E)-N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide.
What is the SMILES notation for (E)-N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide?
The canonical SMILES for (E)-N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide is CC/C=C(\C)C(=O)NC1CCN(C(C)=O)CC1.
What is the InChIKey of (E)-N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide?
The InChIKey is CVYKHLVVQAILJE-BJMVGYQFSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-5-10(2)13(17)14-12-6-8-15(9-7-12)11(3)16/h5,12H,4,6-9H2,1-3H3,(H,14,17)/b10-5+.
What are the key properties of (E)-N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide?
(E)-N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide has a molecular weight of 238.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide is sourced from PubChem (CID 94151524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).