N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide

C16H21N3O4 — CID 3102347

IUPACN-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
SMILESCCOc1cc(C=NNC(=O)C(=O)N2CCCCC2)ccc1O
InChIInChI=1S/C16H21N3O4/c1-2-23-14-10-12(6-7-13(14)20)11-17-18-15(21)16(22)19-8-4-3-5-9-19/h6-7,10-11,20H,2-5,8-9H2,1H3,(H,18,21)
InChIKeyUMHOSWHDNRLDEY-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.25
Rot. Bonds4

About N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide

N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide (PubChem CID 3102347) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
PubChem CID3102347
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
SMILESCCOc1cc(C=NNC(=O)C(=O)N2CCCCC2)ccc1O
InChIInChI=1S/C16H21N3O4/c1-2-23-14-10-12(6-7-13(14)20)11-17-18-15(21)16(22)19-8-4-3-5-9-19/h6-7,10-11,20H,2-5,8-9H2,1H3,(H,18,21)
InChIKeyUMHOSWHDNRLDEY-UHFFFAOYSA-N
XLogP1.25
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 3099208
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 136844914
N-cycloheptyl-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 4678168
N-cycloheptyl-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 135607606
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 94833488
N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide
CID 135458926
N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 3102421
2-(cyclohexylamino)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 137094323
2-(azepan-1-yl)-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]-2-oxoacetamide
CID 3737629
N-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 135678472
N-[2-[2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925054

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide (CID 3102347) is N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide is CCOc1cc(C=NNC(=O)C(=O)N2CCCCC2)ccc1O.
What is the InChIKey of N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide?
The InChIKey is UMHOSWHDNRLDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-2-23-14-10-12(6-7-13(14)20)11-17-18-15(21)16(22)19-8-4-3-5-9-19/h6-7,10-11,20H,2-5,8-9H2,1H3,(H,18,21).
What are the key properties of N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide?
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide has a molecular weight of 319.36 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide is sourced from PubChem (CID 3102347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).