(2E,4E)-N-(2-hydroxyethyl)-2-methyl-5-piperidin-1-ylpenta-2,4-dienamide

C13H22N2O2 — CID 89395564

IUPAC(2E,4E)-N-(2-hydroxyethyl)-2-methyl-5-piperidin-1-ylpenta-2,4-dienamide
SMILESC/C(=C\C=C\N1CCCCC1)C(=O)NCCO
InChIInChI=1S/C13H22N2O2/c1-12(13(17)14-7-11-16)6-5-10-15-8-3-2-4-9-15/h5-6,10,16H,2-4,7-9,11H2,1H3,(H,14,17)/b10-5+,12-6+
InChIKeyUMPGVTMLWWTDIH-NPPOFJFTSA-N
MW238.33 g/mol
LogP1.04
Rot. Bonds5

About (2E,4E)-N-(2-hydroxyethyl)-2-methyl-5-piperidin-1-ylpenta-2,4-dienamide

(2E,4E)-N-(2-hydroxyethyl)-2-methyl-5-piperidin-1-ylpenta-2,4-dienamide (PubChem CID 89395564) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (2E,4E)-N-(2-hydroxyethyl)-2-methyl-5-piperidin-1-ylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-hydroxyethyl)-2-methyl-5-piperidin-1-ylpenta-2,4-dienamide
PubChem CID89395564
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(2E,4E)-N-(2-hydroxyethyl)-2-methyl-5-piperidin-1-ylpenta-2,4-dienamide
SMILESC/C(=C\C=C\N1CCCCC1)C(=O)NCCO
InChIInChI=1S/C13H22N2O2/c1-12(13(17)14-7-11-16)6-5-10-15-8-3-2-4-9-15/h5-6,10,16H,2-4,7-9,11H2,1H3,(H,14,17)/b10-5+,12-6+
InChIKeyUMPGVTMLWWTDIH-NPPOFJFTSA-N
XLogP1.04
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-hydroxyethyl)-2-methyl-5-piperidin-1-ylpenta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-hydroxyethyl)-2-methyl-5-piperidin-1-ylpenta-2,4-dienamide (CID 89395564) is (2E,4E)-N-(2-hydroxyethyl)-2-methyl-5-piperidin-1-ylpenta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-hydroxyethyl)-2-methyl-5-piperidin-1-ylpenta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-hydroxyethyl)-2-methyl-5-piperidin-1-ylpenta-2,4-dienamide is C/C(=C\C=C\N1CCCCC1)C(=O)NCCO.
What is the InChIKey of (2E,4E)-N-(2-hydroxyethyl)-2-methyl-5-piperidin-1-ylpenta-2,4-dienamide?
The InChIKey is UMPGVTMLWWTDIH-NPPOFJFTSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-12(13(17)14-7-11-16)6-5-10-15-8-3-2-4-9-15/h5-6,10,16H,2-4,7-9,11H2,1H3,(H,14,17)/b10-5+,12-6+.
What are the key properties of (2E,4E)-N-(2-hydroxyethyl)-2-methyl-5-piperidin-1-ylpenta-2,4-dienamide?
(2E,4E)-N-(2-hydroxyethyl)-2-methyl-5-piperidin-1-ylpenta-2,4-dienamide has a molecular weight of 238.33 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-hydroxyethyl)-2-methyl-5-piperidin-1-ylpenta-2,4-dienamide is sourced from PubChem (CID 89395564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).