N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide

C14H19N3O2 — CID 135531574

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)N/N=C/c1ccccc1O
InChIInChI=1S/C14H19N3O2/c18-13-7-3-2-6-12(13)10-15-16-14(19)11-17-8-4-1-5-9-17/h2-3,6-7,10,18H,1,4-5,8-9,11H2,(H,16,19)/b15-10+
InChIKeyIMFRHYUZWVZUAI-XNTDXEJSSA-N
MW261.32 g/mol
LogP1.33
Rot. Bonds4

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide (PubChem CID 135531574) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide
PubChem CID135531574
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)N/N=C/c1ccccc1O
InChIInChI=1S/C14H19N3O2/c18-13-7-3-2-6-12(13)10-15-16-14(19)11-17-8-4-1-5-9-17/h2-3,6-7,10,18H,1,4-5,8-9,11H2,(H,16,19)/b15-10+
InChIKeyIMFRHYUZWVZUAI-XNTDXEJSSA-N
XLogP1.33
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
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
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'-[(E)-(2-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647875
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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide (CID 135531574) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)N/N=C/c1ccccc1O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
The InChIKey is IMFRHYUZWVZUAI-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-13-7-3-2-6-12(13)10-15-16-14(19)11-17-8-4-1-5-9-17/h2-3,6-7,10,18H,1,4-5,8-9,11H2,(H,16,19)/b15-10+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide has a molecular weight of 261.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 135531574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).