3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid

C16H21NO4 — CID 80722620

IUPAC3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)Cc2ccccc2O)C1
InChIInChI=1S/C16H21NO4/c1-2-16(15(20)21)8-5-9-17(11-16)14(19)10-12-6-3-4-7-13(12)18/h3-4,6-7,18H,2,5,8-11H2,1H3,(H,20,21)
InChIKeyOZXBMZUBYFCVBJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.04
Rot. Bonds4

About 3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid

3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid (PubChem CID 80722620) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid
PubChem CID80722620
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)Cc2ccccc2O)C1
InChIInChI=1S/C16H21NO4/c1-2-16(15(20)21)8-5-9-17(11-16)14(19)10-12-6-3-4-7-13(12)18/h3-4,6-7,18H,2,5,8-11H2,1H3,(H,20,21)
InChIKeyOZXBMZUBYFCVBJ-UHFFFAOYSA-N
XLogP2.04
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134129
(3R)-3-ethyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid
CID 97113303
4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 80722619
1-[2-(3-bromophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134622
(3R)-3-ethyl-1-(2-methylsulfanylacetyl)piperidine-3-carboxylic acid
CID 95017438
3-ethyl-1-[(2-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65063893
3-amino-1-[2-(2-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 107323165
3-ethyl-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 63134123
(3R)-1-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 97116487
1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63138228
3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63145264
3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid
CID 63134703

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid (CID 80722620) is 3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)Cc2ccccc2O)C1.
What is the InChIKey of 3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is OZXBMZUBYFCVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-16(15(20)21)8-5-9-17(11-16)14(19)10-12-6-3-4-7-13(12)18/h3-4,6-7,18H,2,5,8-11H2,1H3,(H,20,21).
What are the key properties of 3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid?
3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 80722620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).