3,3-diethyl-1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione

C18H24N2O4 — CID 135765146

IUPAC3,3-diethyl-1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione
SMILESCCC1(CC)C(=O)C(C)CN(/N=C/c2ccc(O)c(OC)c2)C1=O
InChIInChI=1S/C18H24N2O4/c1-5-18(6-2)16(22)12(3)11-20(17(18)23)19-10-13-7-8-14(21)15(9-13)24-4/h7-10,12,21H,5-6,11H2,1-4H3/b19-10+
InChIKeyGNEFMSJFALPEMT-VXLYETTFSA-N
MW332.40 g/mol
LogP2.59
Rot. Bonds5

About 3,3-diethyl-1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione

3,3-diethyl-1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione (PubChem CID 135765146) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3,3-diethyl-1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione.

Molecular Properties

Compound Name3,3-diethyl-1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione
PubChem CID135765146
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name3,3-diethyl-1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione
SMILESCCC1(CC)C(=O)C(C)CN(/N=C/c2ccc(O)c(OC)c2)C1=O
InChIInChI=1S/C18H24N2O4/c1-5-18(6-2)16(22)12(3)11-20(17(18)23)19-10-13-7-8-14(21)15(9-13)24-4/h7-10,12,21H,5-6,11H2,1-4H3/b19-10+
InChIKeyGNEFMSJFALPEMT-VXLYETTFSA-N
XLogP2.59
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-Cyclohexyl-2-(4-hydroxy-3-methoxy-benzylidene-hydrazinocarbonyl)-acetamide
CID 135411910
N-[(1Z)-2-(4-hydroxy-3-methoxyphenyl)-1-azavinyl]-N'-(2-phenylethyl)propane-1, 3-diamide
CID 135411907
N'-(4-hydroxy-3-methoxybenzylidene)-3-(1-piperidinyl)propanohydrazide
CID 135433303
5-[(E)-(2,6-dimethylpiperidin-1-yl)iminomethyl]-2-methoxyphenol
CID 9675390
N,N'-bis[(3-hydroxy-4-methoxyphenyl)methylideneamino]pentanediamide
CID 267046
2-Cycloheptyl-5-(3-hydroxy-4-methoxyphenyl)-4,4-dimethylpyrazol-3-one
CID 71455239
N-cyclohexyl-5-[(2E)-2-(3-ethoxy-4-hydroxybenzylidene)hydrazino]-5-oxopentanamide
CID 135521582
2,4-Piperidinedione, 3,3-diethyl-5-methyl-1-(piperonylideneamino)-
CID 9578710
2,4-Piperidinedione, 3,3-diethyl-1-((3,4-dihydroxybenzylidene)amino)-5-methyl-
CID 135765145
5-(3-Hydroxy-4-methoxyphenyl)-4,4-dimethyl-2-propan-2-ylpyrazol-3-one
CID 71462420
N-[(E)-(4-hydroxy-3-methoxy-phenyl)methyleneamino]piperidine-4-carboxamide
CID 135483807
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-2-oxoacetohydrazide
CID 135419545

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione?
The IUPAC name of 3,3-diethyl-1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione (CID 135765146) is 3,3-diethyl-1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione.
What is the SMILES notation for 3,3-diethyl-1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione?
The canonical SMILES for 3,3-diethyl-1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione is CCC1(CC)C(=O)C(C)CN(/N=C/c2ccc(O)c(OC)c2)C1=O.
What is the InChIKey of 3,3-diethyl-1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione?
The InChIKey is GNEFMSJFALPEMT-VXLYETTFSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-5-18(6-2)16(22)12(3)11-20(17(18)23)19-10-13-7-8-14(21)15(9-13)24-4/h7-10,12,21H,5-6,11H2,1-4H3/b19-10+.
What are the key properties of 3,3-diethyl-1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione?
3,3-diethyl-1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione has a molecular weight of 332.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione is sourced from PubChem (CID 135765146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).