N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide

C14H20N4O2 — CID 135533972

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)N/N=C/c2ccccc2O)CC1
InChIInChI=1S/C14H20N4O2/c1-17-6-8-18(9-7-17)11-14(20)16-15-10-12-4-2-3-5-13(12)19/h2-5,10,19H,6-9,11H2,1H3,(H,16,20)/b15-10+
InChIKeyJPBCJCBFGXBBQY-XNTDXEJSSA-N
MW276.34 g/mol
LogP0.09
Rot. Bonds4

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 135533972) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID135533972
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)N/N=C/c2ccccc2O)CC1
InChIInChI=1S/C14H20N4O2/c1-17-6-8-18(9-7-17)11-14(20)16-15-10-12-4-2-3-5-13(12)19/h2-5,10,19H,6-9,11H2,1H3,(H,16,20)/b15-10+
InChIKeyJPBCJCBFGXBBQY-XNTDXEJSSA-N
XLogP0.09
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

Pac-1
CID 135421197
(E)-2-(4-benzylpiperazin-1-yl)-N'-(2-hydroxybenzylidene)acetohydrazide
CID 135501892
N'-(3-allyl-2-hydroxybenzylidene)-2-(4-benzyl-1-piperazinyl)acetohydrazide
CID 135457726
N-(3-morpholin-4-ylpropyl)-2-oxo-2-[2-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]acetamide
CID 135484332
Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
2-[(2-Hydroxyphenyl)methylene]-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]hydrazinecarboxamide
CID 335340
2-(1-azepanyl)-N'-(2-hydroxybenzylidene)-2-oxoacetohydrazide
CID 135457596
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 135519973
N'-[(1E)-1-(2-hydroxyphenyl)ethylidene]-2-piperidin-1-ylacetohydrazide
CID 135671630
N'-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methyl]-2-[4-(phenylmethyl)-1-piperazinyl]acetohydrazide
CID 1185541
2-(4-benzylpiperazin-1-yl)-N-[(E)-[2-hydroxy-3,5-bis(prop-2-enyl)phenyl]methylideneamino]acetamide
CID 135875939
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135875948

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide (CID 135533972) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)N/N=C/c2ccccc2O)CC1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is JPBCJCBFGXBBQY-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-17-6-8-18(9-7-17)11-14(20)16-15-10-12-4-2-3-5-13(12)19/h2-5,10,19H,6-9,11H2,1H3,(H,16,20)/b15-10+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 135533972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).