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

C16H21NO4 — CID 114426970

IUPAC4-ethyl-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)Cc2cccc(O)c2)C(C(=O)O)C1
InChIInChI=1S/C16H21NO4/c1-2-11-6-7-17(14(9-11)16(20)21)15(19)10-12-4-3-5-13(18)8-12/h3-5,8,11,14,18H,2,6-7,9-10H2,1H3,(H,20,21)
InChIKeyLWWXHFXBAMSANL-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.04
Rot. Bonds4

About 4-ethyl-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylic acid

4-ethyl-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylic acid (PubChem CID 114426970) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-ethyl-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylic acid
PubChem CID114426970
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name4-ethyl-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)Cc2cccc(O)c2)C(C(=O)O)C1
InChIInChI=1S/C16H21NO4/c1-2-11-6-7-17(14(9-11)16(20)21)15(19)10-12-4-3-5-13(18)8-12/h3-5,8,11,14,18H,2,6-7,9-10H2,1H3,(H,20,21)
InChIKeyLWWXHFXBAMSANL-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

4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid
CID 114427184
1-[2-(3-chlorophenyl)acetyl]-4-ethylpiperidine-2-carboxylic acid
CID 114426986
4-ethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 45043186
4-methyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid
CID 114421768
1-(2-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399838
1-(3-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399726
methyl (2R)-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylate
CID 115535987
1-butanoyl-4-ethylpiperidine-2-carboxylic acid
CID 114426953
2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 61400367
4-ethyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 114431017
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 80677823
1-(2,3-dichlorobenzoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427256

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylic acid (CID 114426970) is 4-ethyl-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylic acid is CCC1CCN(C(=O)Cc2cccc(O)c2)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is LWWXHFXBAMSANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-11-6-7-17(14(9-11)16(20)21)15(19)10-12-4-3-5-13(18)8-12/h3-5,8,11,14,18H,2,6-7,9-10H2,1H3,(H,20,21).
What are the key properties of 4-ethyl-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylic acid?
4-ethyl-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-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 4-ethyl-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114426970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).