1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxylic acid

C20H21NO4 — CID 42869303

IUPAC1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CC(c2ccccc2)CN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C20H21NO4/c22-19(14-25-18-9-5-2-6-10-18)21-12-16(11-17(13-21)20(23)24)15-7-3-1-4-8-15/h1-10,16-17H,11-14H2,(H,23,24)
InChIKeyYXWVZDNCMYSVMI-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.78
Rot. Bonds5

About 1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxylic acid

1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxylic acid (PubChem CID 42869303) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxylic acid
PubChem CID42869303
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CC(c2ccccc2)CN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C20H21NO4/c22-19(14-25-18-9-5-2-6-10-18)21-12-16(11-17(13-21)20(23)24)15-7-3-1-4-8-15/h1-10,16-17H,11-14H2,(H,23,24)
InChIKeyYXWVZDNCMYSVMI-UHFFFAOYSA-N
XLogP2.78
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxamide
CID 42869320
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
cis-(1R,3S)-3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677745
1-[2-(3-bromophenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119572
1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 119166473
1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
CID 47914743
1-[methyl(2-phenylethyl)carbamoyl]-5-phenylpiperidine-3-carboxylic acid
CID 69260657
4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid
CID 43184306
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
1-(3-ethylsulfonylazetidin-1-yl)-2-phenoxyethanone
CID 121164260
1-[3-(bromomethyl)piperidin-1-yl]-2-phenoxyethanone
CID 80661274

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxylic acid (CID 42869303) is 1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxylic acid is O=C(O)C1CC(c2ccccc2)CN(C(=O)COc2ccccc2)C1.
What is the InChIKey of 1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxylic acid?
The InChIKey is YXWVZDNCMYSVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c22-19(14-25-18-9-5-2-6-10-18)21-12-16(11-17(13-21)20(23)24)15-7-3-1-4-8-15/h1-10,16-17H,11-14H2,(H,23,24).
What are the key properties of 1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxylic acid?
1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxylic acid has a molecular weight of 339.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyacetyl)-5-phenylpiperidine-3-carboxylic acid is sourced from PubChem (CID 42869303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).