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

C17H23NO3 — CID 63125200

IUPAC4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)Cc2cccc(C)c2)CC1
InChIInChI=1S/C17H23NO3/c1-3-17(16(20)21)7-9-18(10-8-17)15(19)12-14-6-4-5-13(2)11-14/h4-6,11H,3,7-10,12H2,1-2H3,(H,20,21)
InChIKeyTYLLZPPSYUPIAK-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.64
Rot. Bonds4

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

4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxylic acid (PubChem CID 63125200) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxylic acid
PubChem CID63125200
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)Cc2cccc(C)c2)CC1
InChIInChI=1S/C17H23NO3/c1-3-17(16(20)21)7-9-18(10-8-17)15(19)12-14-6-4-5-13(2)11-14/h4-6,11H,3,7-10,12H2,1-2H3,(H,20,21)
InChIKeyTYLLZPPSYUPIAK-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 ≤ 500289.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[2-(3-hydroxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63145264
1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 115304471
4-ethyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 63124786
4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 80722619
4-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 63125722
2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 6469987
3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63146415
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
1-[2-(3-bromophenyl)acetyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63146140
1-[2-(3-bromophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134622
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
2,2-dimethyl-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817960

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxylic acid (CID 63125200) is 4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)Cc2cccc(C)c2)CC1.
What is the InChIKey of 4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is TYLLZPPSYUPIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-17(16(20)21)7-9-18(10-8-17)15(19)12-14-6-4-5-13(2)11-14/h4-6,11H,3,7-10,12H2,1-2H3,(H,20,21).
What are the key properties of 4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxylic acid?
4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 289.38 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-4-carboxylic acid is sourced from PubChem (CID 63125200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).