2-[4-[2-(hydroxyiminomethyl)phenoxy]piperidin-1-yl]-2-oxoacetamide

C14H17N3O4 — CID 87416022

IUPAC2-[4-[2-(hydroxyiminomethyl)phenoxy]piperidin-1-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)N1CCC(Oc2ccccc2C=NO)CC1
InChIInChI=1S/C14H17N3O4/c15-13(18)14(19)17-7-5-11(6-8-17)21-12-4-2-1-3-10(12)9-16-20/h1-4,9,11,20H,5-8H2,(H2,15,18)
InChIKeyXHSBTGIEWKLBCK-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.35
Rot. Bonds3

About 2-[4-[2-(hydroxyiminomethyl)phenoxy]piperidin-1-yl]-2-oxoacetamide

2-[4-[2-(hydroxyiminomethyl)phenoxy]piperidin-1-yl]-2-oxoacetamide (PubChem CID 87416022) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[4-[2-(hydroxyiminomethyl)phenoxy]piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-[2-(hydroxyiminomethyl)phenoxy]piperidin-1-yl]-2-oxoacetamide
PubChem CID87416022
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-[4-[2-(hydroxyiminomethyl)phenoxy]piperidin-1-yl]-2-oxoacetamide
SMILESNC(=O)C(=O)N1CCC(Oc2ccccc2C=NO)CC1
InChIInChI=1S/C14H17N3O4/c15-13(18)14(19)17-7-5-11(6-8-17)21-12-4-2-1-3-10(12)9-16-20/h1-4,9,11,20H,5-8H2,(H2,15,18)
InChIKeyXHSBTGIEWKLBCK-UHFFFAOYSA-N
XLogP0.35
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 2-[4-[2-(hydroxyiminomethyl)phenoxy]piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[4-[2-(hydroxyiminomethyl)phenoxy]piperidin-1-yl]-2-oxoacetamide (CID 87416022) is 2-[4-[2-(hydroxyiminomethyl)phenoxy]piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[4-[2-(hydroxyiminomethyl)phenoxy]piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[4-[2-(hydroxyiminomethyl)phenoxy]piperidin-1-yl]-2-oxoacetamide is NC(=O)C(=O)N1CCC(Oc2ccccc2C=NO)CC1.
What is the InChIKey of 2-[4-[2-(hydroxyiminomethyl)phenoxy]piperidin-1-yl]-2-oxoacetamide?
The InChIKey is XHSBTGIEWKLBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c15-13(18)14(19)17-7-5-11(6-8-17)21-12-4-2-1-3-10(12)9-16-20/h1-4,9,11,20H,5-8H2,(H2,15,18).
What are the key properties of 2-[4-[2-(hydroxyiminomethyl)phenoxy]piperidin-1-yl]-2-oxoacetamide?
2-[4-[2-(hydroxyiminomethyl)phenoxy]piperidin-1-yl]-2-oxoacetamide has a molecular weight of 291.31 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(hydroxyiminomethyl)phenoxy]piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 87416022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).