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

C18H22N4O3 — CID 126812053

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 Name3-[(2-ethoxyphenyl)methylideneamino]oxy-1-(1-methylpyrazol-3-yl)piperidin-2-one
PubChem CID126812053
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name3-[(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
XLogP2.36
TPSA68.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 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).