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

C17H22N2O3 — CID 135765144

IUPAC3,3-diethyl-1-[(E)-(2-hydroxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione
SMILESCCC1(CC)C(=O)C(C)CN(/N=C/c2ccccc2O)C1=O
InChIInChI=1S/C17H22N2O3/c1-4-17(5-2)15(21)12(3)11-19(16(17)22)18-10-13-8-6-7-9-14(13)20/h6-10,12,20H,4-5,11H2,1-3H3/b18-10+
InChIKeyLDYQLZSGRZVHOR-VCHYOVAHSA-N
MW302.37 g/mol
LogP2.58
Rot. Bonds4

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

3,3-diethyl-1-[(E)-(2-hydroxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione (PubChem CID 135765144) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3,3-diethyl-1-[(E)-(2-hydroxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione.

Molecular Properties

Compound Name3,3-diethyl-1-[(E)-(2-hydroxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione
PubChem CID135765144
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3,3-diethyl-1-[(E)-(2-hydroxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione
SMILESCCC1(CC)C(=O)C(C)CN(/N=C/c2ccccc2O)C1=O
InChIInChI=1S/C17H22N2O3/c1-4-17(5-2)15(21)12(3)11-19(16(17)22)18-10-13-8-6-7-9-14(13)20/h6-10,12,20H,4-5,11H2,1-3H3/b18-10+
InChIKeyLDYQLZSGRZVHOR-VCHYOVAHSA-N
XLogP2.58
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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'-[(E)-(3-hydroxyphenyl)methylidene]-2-oxopiperidine-3-carbohydrazide
CID 9663001
N'-[(E)-(2-hydroxyphenyl)methylidene]-2-oxopiperidine-3-carbohydrazide
CID 135517147
2,4-Piperidinedione, 3,3-diethyl-1-((3,4-dihydroxybenzylidene)amino)-5-methyl-
CID 135765145
N-[(3-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 3290113
N-[(2-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 5150269
3-[2-(2-hydroxybenzylidene)hydrazino]-N-isobutyl-3-oxopropanamide
CID 135446542
3,3-Diethyl-1-[(2-hydroxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione
CID 217900
1-[(3,4-Dihydroxyphenyl)methylideneamino]-3,3-diethyl-5-methylpiperidine-2,4-dione
CID 217901
3-[(2-hydroxyphenyl)methylideneamino]-5-(piperidine-1-carbonyl)-2H-triazol-4-one
CID 1499847
N'-[(2-hydroxyphenyl)methylideneamino]-N-(2-methylpropyl)propanediamide
CID 2250700
N-[(4-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 3806839
(3S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 5425127

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-[(E)-(2-hydroxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione?
The IUPAC name of 3,3-diethyl-1-[(E)-(2-hydroxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione (CID 135765144) is 3,3-diethyl-1-[(E)-(2-hydroxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione.
What is the SMILES notation for 3,3-diethyl-1-[(E)-(2-hydroxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione?
The canonical SMILES for 3,3-diethyl-1-[(E)-(2-hydroxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione is CCC1(CC)C(=O)C(C)CN(/N=C/c2ccccc2O)C1=O.
What is the InChIKey of 3,3-diethyl-1-[(E)-(2-hydroxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione?
The InChIKey is LDYQLZSGRZVHOR-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-4-17(5-2)15(21)12(3)11-19(16(17)22)18-10-13-8-6-7-9-14(13)20/h6-10,12,20H,4-5,11H2,1-3H3/b18-10+.
What are the key properties of 3,3-diethyl-1-[(E)-(2-hydroxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione?
3,3-diethyl-1-[(E)-(2-hydroxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione has a molecular weight of 302.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-[(E)-(2-hydroxyphenyl)methylideneamino]-5-methylpiperidine-2,4-dione is sourced from PubChem (CID 135765144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).