3-[(2-ethoxyphenyl)methylideneamino]oxy-1-(1-methylpyrazol-3-yl)piperidin-2-one

Name: 3-[(2-ethoxyphenyl)methylideneamino]oxy-1-(1-methylpyrazol-3-yl)piperidin-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₂₂N₄O₃ — CID 126812053

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[(2-ethoxyphenyl)methylideneamino]oxy-1-(1-methylpyrazol-3-yl)piperidin-2-one

SMILESCCOc1ccccc1C=NOC1CCCN(c2ccn(C)n2)C1=O

InChIInChI=1S/C18H22N4O3/c1-3-24-15-8-5-4-7-14(15)13-19-25-16-9-6-11-22(18(16)23)17-10-12-21(2)20-17/h4-5,7-8,10,12-13,16H,3,6,9,11H2,1-2H3

InChIKeyRELRLVFVSLZPAT-UHFFFAOYSA-N

MW342.40 g/mol

LogP2.36

Rot. Bonds6

About 3-[(2-ethoxyphenyl)methylideneamino]oxy-1-(1-methylpyrazol-3-yl)piperidin-2-one

3-[(2-ethoxyphenyl)methylideneamino]oxy-1-(1-methylpyrazol-3-yl)piperidin-2-one (PubChem CID 126812053) has the molecular formula C₁₈H₂₂N₄O₃ and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[(2-ethoxyphenyl)methylideneamino]oxy-1-(1-methylpyrazol-3-yl)piperidin-2-one.

Molecular Properties

Compound Name	3-[(2-ethoxyphenyl)methylideneamino]oxy-1-(1-methylpyrazol-3-yl)piperidin-2-one
PubChem CID	126812053
Molecular Formula	C₁₈H₂₂N₄O₃
Molecular Weight	342.40 g/mol
Exact Mass	342.17
IUPAC Name	3-[(2-ethoxyphenyl)methylideneamino]oxy-1-(1-methylpyrazol-3-yl)piperidin-2-one
SMILES	CCOc1ccccc1C=NOC1CCCN(c2ccn(C)n2)C1=O
InChI	InChI=1S/C18H22N4O3/c1-3-24-15-8-5-4-7-14(15)13-19-25-16-9-6-11-22(18(16)23)17-10-12-21(2)20-17/h4-5,7-8,10,12-13,16H,3,6,9,11H2,1-2H3
InChIKey	RELRLVFVSLZPAT-UHFFFAOYSA-N
XLogP	2.36
TPSA	68.95 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.40
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyphenyl)methylideneamino]oxy-1-(1-methylpyrazol-3-yl)piperidin-2-one?

The IUPAC name of 3-[(2-ethoxyphenyl)methylideneamino]oxy-1-(1-methylpyrazol-3-yl)piperidin-2-one (CID 126812053) is 3-[(2-ethoxyphenyl)methylideneamino]oxy-1-(1-methylpyrazol-3-yl)piperidin-2-one.

What is the SMILES notation for 3-[(2-ethoxyphenyl)methylideneamino]oxy-1-(1-methylpyrazol-3-yl)piperidin-2-one?

The canonical SMILES for 3-[(2-ethoxyphenyl)methylideneamino]oxy-1-(1-methylpyrazol-3-yl)piperidin-2-one is CCOc1ccccc1C=NOC1CCCN(c2ccn(C)n2)C1=O.

What is the InChIKey of 3-[(2-ethoxyphenyl)methylideneamino]oxy-1-(1-methylpyrazol-3-yl)piperidin-2-one?

The InChIKey is RELRLVFVSLZPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-24-15-8-5-4-7-14(15)13-19-25-16-9-6-11-22(18(16)23)17-10-12-21(2)20-17/h4-5,7-8,10,12-13,16H,3,6,9,11H2,1-2H3.

What are the key properties of 3-[(2-ethoxyphenyl)methylideneamino]oxy-1-(1-methylpyrazol-3-yl)piperidin-2-one?

3-[(2-ethoxyphenyl)methylideneamino]oxy-1-(1-methylpyrazol-3-yl)piperidin-2-one has a molecular weight of 342.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-ethoxyphenyl)methylideneamino]oxy-1-(1-methylpyrazol-3-yl)piperidin-2-one is sourced from PubChem (CID 126812053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 126812053 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.