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

C14H19N3O2 — CID 703122

IUPACN-[(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)NN=Cc1ccccc1O
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)
InChIKeyIMFRHYUZWVZUAI-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.33
Rot. Bonds4

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

N-[(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide (PubChem CID 703122) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide
PubChem CID703122
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)NN=Cc1ccccc1O
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)
InChIKeyIMFRHYUZWVZUAI-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide (CID 703122) is N-[(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)NN=Cc1ccccc1O.
What is the InChIKey of N-[(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
The InChIKey is IMFRHYUZWVZUAI-UHFFFAOYSA-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).
What are the key properties of N-[(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide?
N-[(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-[(2-hydroxyphenyl)methylideneamino]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 703122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).