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

C13H22N2O2 — CID 71896948

IUPACN-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide
SMILESCCC=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)
InChIKeyCVYKHLVVQAILJE-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.47
Rot. Bonds3

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

N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide (PubChem CID 71896948) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide
PubChem CID71896948
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide
SMILESCCC=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)
InChIKeyCVYKHLVVQAILJE-UHFFFAOYSA-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 N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide (CID 71896948) is N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide is CCC=C(C)C(=O)NC1CCN(C(C)=O)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide?
The InChIKey is CVYKHLVVQAILJE-UHFFFAOYSA-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).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide?
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 N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide is sourced from PubChem (CID 71896948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).