2-[2-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-piperidin-1-ylacetamide

C14H20N4O3 — CID 83018834

IUPAC2-[2-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-piperidin-1-ylacetamide
SMILESN/C(=N/O)c1ccccc1OCC(=O)NN1CCCCC1
InChIInChI=1S/C14H20N4O3/c15-14(17-20)11-6-2-3-7-12(11)21-10-13(19)16-18-8-4-1-5-9-18/h2-3,6-7,20H,1,4-5,8-10H2,(H2,15,17)(H,16,19)
InChIKeyCYFFBJUDXAEZHJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.68
Rot. Bonds5

About 2-[2-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-piperidin-1-ylacetamide

2-[2-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-piperidin-1-ylacetamide (PubChem CID 83018834) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[2-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-piperidin-1-ylacetamide.

Molecular Properties

Compound Name2-[2-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-piperidin-1-ylacetamide
PubChem CID83018834
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-[2-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-piperidin-1-ylacetamide
SMILESN/C(=N/O)c1ccccc1OCC(=O)NN1CCCCC1
InChIInChI=1S/C14H20N4O3/c15-14(17-20)11-6-2-3-7-12(11)21-10-13(19)16-18-8-4-1-5-9-18/h2-3,6-7,20H,1,4-5,8-10H2,(H2,15,17)(H,16,19)
InChIKeyCYFFBJUDXAEZHJ-UHFFFAOYSA-N
XLogP0.68
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-oxo-2-(piperidin-1-ylamino)ethoxy]benzamide
CID 9083909
2-(2-carbamothioylphenoxy)-N-piperidin-1-ylacetamide
CID 83015559
N-ethyl-2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetamide
CID 43155983
2-[2-(N'-hydroxycarbamimidoyl)phenoxy]-N-(2-methylcyclopropyl)acetamide
CID 76943356
2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 43332989
N'-hydroxy-2-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
CID 43332975
2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]-N-(3-methoxypropyl)acetamide
CID 43156183
N'-hydroxy-2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
CID 76904159
2-[[2-[2-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]acetyl]-methylamino]-N-methylacetamide
CID 43374370
2-(2-methylphenoxy)-N-(4-methylpiperazin-1-yl)acetamide
CID 891918
3-[(E)-N'-hydroxycarbamimidoyl]-N-piperidin-1-ylbenzamide
CID 83023360
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-piperidin-1-ylacetamide?
The IUPAC name of 2-[2-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-piperidin-1-ylacetamide (CID 83018834) is 2-[2-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-piperidin-1-ylacetamide.
What is the SMILES notation for 2-[2-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-piperidin-1-ylacetamide?
The canonical SMILES for 2-[2-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-piperidin-1-ylacetamide is N/C(=N/O)c1ccccc1OCC(=O)NN1CCCCC1.
What is the InChIKey of 2-[2-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-piperidin-1-ylacetamide?
The InChIKey is CYFFBJUDXAEZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c15-14(17-20)11-6-2-3-7-12(11)21-10-13(19)16-18-8-4-1-5-9-18/h2-3,6-7,20H,1,4-5,8-10H2,(H2,15,17)(H,16,19).
What are the key properties of 2-[2-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-piperidin-1-ylacetamide?
2-[2-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-piperidin-1-ylacetamide has a molecular weight of 292.34 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-N'-hydroxycarbamimidoyl]phenoxy]-N-piperidin-1-ylacetamide is sourced from PubChem (CID 83018834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).