4-oxo-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid

C14H16N2O5 — CID 123275165

IUPAC4-oxo-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid
SMILESO=C(COc1ccccc1)NC1CN(C(=O)O)CCC1=O
InChIInChI=1S/C14H16N2O5/c17-12-6-7-16(14(19)20)8-11(12)15-13(18)9-21-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,18)(H,19,20)
InChIKeyGSZICKMZMIAYHM-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.50
Rot. Bonds4

About 4-oxo-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid

4-oxo-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid (PubChem CID 123275165) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-oxo-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-oxo-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid
PubChem CID123275165
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name4-oxo-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid
SMILESO=C(COc1ccccc1)NC1CN(C(=O)O)CCC1=O
InChIInChI=1S/C14H16N2O5/c17-12-6-7-16(14(19)20)8-11(12)15-13(18)9-21-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,18)(H,19,20)
InChIKeyGSZICKMZMIAYHM-UHFFFAOYSA-N
XLogP0.50
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid
CID 123895994
N-(4-oxocyclohexyl)-2-phenoxyacetamide
CID 43652791
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-phenoxyacetamide
CID 5092006
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
N-[(3R,5S)-3-(bromomethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenoxyacetamide
CID 54406204
tert-butyl (3R)-3-[(2-phenoxyacetyl)amino]pyrrolidine-1-carboxylate
CID 96510561
N-[(6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-phenoxyacetamide
CID 54368837
N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide
CID 11162770
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-phenoxyacetamide
CID 108555861
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide
CID 110164138
4-[[2-(4-chlorophenoxy)acetyl]amino]piperidine-1-carboxylic acid
CID 68885629
N-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-2-phenoxyacetamide
CID 78199659

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-oxo-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid (CID 123275165) is 4-oxo-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-oxo-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-oxo-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid is O=C(COc1ccccc1)NC1CN(C(=O)O)CCC1=O.
What is the InChIKey of 4-oxo-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid?
The InChIKey is GSZICKMZMIAYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c17-12-6-7-16(14(19)20)8-11(12)15-13(18)9-21-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,18)(H,19,20).
What are the key properties of 4-oxo-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid?
4-oxo-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-[(2-phenoxyacetyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 123275165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).