(E)-N-(4-acetylphenyl)-4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methyl-4-oxobut-2-enamide

C20H26N2O4 — CID 110832370

IUPAC(E)-N-(4-acetylphenyl)-4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methyl-4-oxobut-2-enamide
SMILESCC(=O)c1ccc(NC(=O)/C=C(\C)C(=O)N2CCCCC2CCO)cc1
InChIInChI=1S/C20H26N2O4/c1-14(20(26)22-11-4-3-5-18(22)10-12-23)13-19(25)21-17-8-6-16(7-9-17)15(2)24/h6-9,13,18,23H,3-5,10-12H2,1-2H3,(H,21,25)/b14-13+
InChIKeySWZGMSJRTACZNH-BUHFOSPRSA-N
MW358.44 g/mol
LogP2.54
Rot. Bonds6

About (E)-N-(4-acetylphenyl)-4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methyl-4-oxobut-2-enamide

(E)-N-(4-acetylphenyl)-4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methyl-4-oxobut-2-enamide (PubChem CID 110832370) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is (E)-N-(4-acetylphenyl)-4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methyl-4-oxobut-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-acetylphenyl)-4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methyl-4-oxobut-2-enamide
PubChem CID110832370
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name(E)-N-(4-acetylphenyl)-4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methyl-4-oxobut-2-enamide
SMILESCC(=O)c1ccc(NC(=O)/C=C(\C)C(=O)N2CCCCC2CCO)cc1
InChIInChI=1S/C20H26N2O4/c1-14(20(26)22-11-4-3-5-18(22)10-12-23)13-19(25)21-17-8-6-16(7-9-17)15(2)24/h6-9,13,18,23H,3-5,10-12H2,1-2H3,(H,21,25)/b14-13+
InChIKeySWZGMSJRTACZNH-BUHFOSPRSA-N
XLogP2.54
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 61409053
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethane-1,2-dione
CID 110886980
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxoacetamide
CID 108527661
(2R)-N-(4-chlorophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 40622393
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide
CID 108515753
(E)-N'-(4-acetylphenyl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)but-2-enediamide
CID 110832410
N-(4-acetylphenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 109006395
N-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 62356436
N-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108522156
N-(2,5-dimethylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108531033
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-prop-2-enylacetamide
CID 108526472

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-acetylphenyl)-4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methyl-4-oxobut-2-enamide?
The IUPAC name of (E)-N-(4-acetylphenyl)-4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methyl-4-oxobut-2-enamide (CID 110832370) is (E)-N-(4-acetylphenyl)-4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methyl-4-oxobut-2-enamide.
What is the SMILES notation for (E)-N-(4-acetylphenyl)-4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methyl-4-oxobut-2-enamide?
The canonical SMILES for (E)-N-(4-acetylphenyl)-4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methyl-4-oxobut-2-enamide is CC(=O)c1ccc(NC(=O)/C=C(\C)C(=O)N2CCCCC2CCO)cc1.
What is the InChIKey of (E)-N-(4-acetylphenyl)-4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methyl-4-oxobut-2-enamide?
The InChIKey is SWZGMSJRTACZNH-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14(20(26)22-11-4-3-5-18(22)10-12-23)13-19(25)21-17-8-6-16(7-9-17)15(2)24/h6-9,13,18,23H,3-5,10-12H2,1-2H3,(H,21,25)/b14-13+.
What are the key properties of (E)-N-(4-acetylphenyl)-4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methyl-4-oxobut-2-enamide?
(E)-N-(4-acetylphenyl)-4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methyl-4-oxobut-2-enamide has a molecular weight of 358.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-acetylphenyl)-4-[2-(2-hydroxyethyl)piperidin-1-yl]-3-methyl-4-oxobut-2-enamide is sourced from PubChem (CID 110832370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).