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

C17H23NO3 — CID 114427184

IUPAC4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)Cc2cccc(C)c2)C(C(=O)O)C1
InChIInChI=1S/C17H23NO3/c1-3-13-7-8-18(15(10-13)17(20)21)16(19)11-14-6-4-5-12(2)9-14/h4-6,9,13,15H,3,7-8,10-11H2,1-2H3,(H,20,21)
InChIKeySARDZGYAHWGOEZ-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.64
Rot. Bonds4

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

4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid (PubChem CID 114427184) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid
PubChem CID114427184
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)Cc2cccc(C)c2)C(C(=O)O)C1
InChIInChI=1S/C17H23NO3/c1-3-13-7-8-18(15(10-13)17(20)21)16(19)11-14-6-4-5-12(2)9-14/h4-6,9,13,15H,3,7-8,10-11H2,1-2H3,(H,20,21)
InChIKeySARDZGYAHWGOEZ-UHFFFAOYSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 114426970
1-[2-(3-chlorophenyl)acetyl]-4-ethylpiperidine-2-carboxylic acid
CID 114426986
4-methyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid
CID 114421768
4-ethyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 114431017
(2R,4R)-4-hydroxy-1-[2-(3-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 79000861
(2S)-4-hydroxy-1-[2-(3-methylphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 62390121
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 99607444
(4R)-3-[2-(3-methylphenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 53211524
4-ethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 45043186
1-butanoyl-4-ethylpiperidine-2-carboxylic acid
CID 114426953
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729
(2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922373

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid (CID 114427184) is 4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid is CCC1CCN(C(=O)Cc2cccc(C)c2)C(C(=O)O)C1.
What is the InChIKey of 4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is SARDZGYAHWGOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-13-7-8-18(15(10-13)17(20)21)16(19)11-14-6-4-5-12(2)9-14/h4-6,9,13,15H,3,7-8,10-11H2,1-2H3,(H,20,21).
What are the key properties of 4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid?
4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 289.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114427184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).