4-hydroxy-1-[2-(phenoxymethyl)benzoyl]piperidine-4-carboxylic acid

C20H21NO5 — CID 119251922

IUPAC4-hydroxy-1-[2-(phenoxymethyl)benzoyl]piperidine-4-carboxylic acid
SMILESO=C(c1ccccc1COc1ccccc1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C20H21NO5/c22-18(21-12-10-20(25,11-13-21)19(23)24)17-9-5-4-6-15(17)14-26-16-7-2-1-3-8-16/h1-9,25H,10-14H2,(H,23,24)
InChIKeyPSOCSSBESJVPFZ-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.32
Rot. Bonds5

About 4-hydroxy-1-[2-(phenoxymethyl)benzoyl]piperidine-4-carboxylic acid

4-hydroxy-1-[2-(phenoxymethyl)benzoyl]piperidine-4-carboxylic acid (PubChem CID 119251922) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(phenoxymethyl)benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-(phenoxymethyl)benzoyl]piperidine-4-carboxylic acid
PubChem CID119251922
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name4-hydroxy-1-[2-(phenoxymethyl)benzoyl]piperidine-4-carboxylic acid
SMILESO=C(c1ccccc1COc1ccccc1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C20H21NO5/c22-18(21-12-10-20(25,11-13-21)19(23)24)17-9-5-4-6-15(17)14-26-16-7-2-1-3-8-16/h1-9,25H,10-14H2,(H,23,24)
InChIKeyPSOCSSBESJVPFZ-UHFFFAOYSA-N
XLogP2.32
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone
CID 78774462
6-[2-(phenoxymethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175545
cyclopropyl-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-yl]methanone
CID 17411575
[(3R)-3-hydroxypyrrolidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 111561150
4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
CID 119250762
[4-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119544892
[4-(2-methylsulfonylethyl)piperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 56533667
N-[1-[2-(phenoxymethyl)benzoyl]piperidin-4-yl]benzamide
CID 18131786
[3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 110886871
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 26766046
acetic acid;2-(phenoxymethyl)benzoic acid
CID 154809758
[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 55526800

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(phenoxymethyl)benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-(phenoxymethyl)benzoyl]piperidine-4-carboxylic acid (CID 119251922) is 4-hydroxy-1-[2-(phenoxymethyl)benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-(phenoxymethyl)benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-(phenoxymethyl)benzoyl]piperidine-4-carboxylic acid is O=C(c1ccccc1COc1ccccc1)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-[2-(phenoxymethyl)benzoyl]piperidine-4-carboxylic acid?
The InChIKey is PSOCSSBESJVPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c22-18(21-12-10-20(25,11-13-21)19(23)24)17-9-5-4-6-15(17)14-26-16-7-2-1-3-8-16/h1-9,25H,10-14H2,(H,23,24).
What are the key properties of 4-hydroxy-1-[2-(phenoxymethyl)benzoyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[2-(phenoxymethyl)benzoyl]piperidine-4-carboxylic acid has a molecular weight of 355.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(phenoxymethyl)benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119251922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).