N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide

C16H21N3O4 — CID 135419545

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)N2CCC(C)CC2)ccc1O
InChIInChI=1S/C16H21N3O4/c1-11-5-7-19(8-6-11)16(22)15(21)18-17-10-12-3-4-13(20)14(9-12)23-2/h3-4,9-11,20H,5-8H2,1-2H3,(H,18,21)/b17-10+
InChIKeyCEOKCGLVEMSAOS-LICLKQGHSA-N
MW319.36 g/mol
LogP1.11
Rot. Bonds3

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 135419545) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID135419545
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)N2CCC(C)CC2)ccc1O
InChIInChI=1S/C16H21N3O4/c1-11-5-7-19(8-6-11)16(22)15(21)18-17-10-12-3-4-13(20)14(9-12)23-2/h3-4,9-11,20H,5-8H2,1-2H3,(H,18,21)/b17-10+
InChIKeyCEOKCGLVEMSAOS-LICLKQGHSA-N
XLogP1.11
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.11
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'}

Analyze N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide (CID 135419545) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide is COc1cc(/C=N/NC(=O)C(=O)N2CCC(C)CC2)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is CEOKCGLVEMSAOS-LICLKQGHSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-11-5-7-19(8-6-11)16(22)15(21)18-17-10-12-3-4-13(20)14(9-12)23-2/h3-4,9-11,20H,5-8H2,1-2H3,(H,18,21)/b17-10+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 319.36 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 135419545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).