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

C17H23NO3 — CID 63124786

IUPAC4-ethyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)Cc2ccccc2C)CC1
InChIInChI=1S/C17H23NO3/c1-3-17(16(20)21)8-10-18(11-9-17)15(19)12-14-7-5-4-6-13(14)2/h4-7H,3,8-12H2,1-2H3,(H,20,21)
InChIKeyVNPIJILWHMRMPJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.64
Rot. Bonds4

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

4-ethyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid (PubChem CID 63124786) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-ethyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid
PubChem CID63124786
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name4-ethyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)Cc2ccccc2C)CC1
InChIInChI=1S/C17H23NO3/c1-3-17(16(20)21)8-10-18(11-9-17)15(19)12-14-7-5-4-6-13(14)2/h4-7H,3,8-12H2,1-2H3,(H,20,21)
InChIKeyVNPIJILWHMRMPJ-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

4-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 80722619
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
CID 80706813
4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 63125200
1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 115304493
2-(2-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 17145715
3-ethyl-1-[2-(2-hydroxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 80722620
1-[4-[2-(2-methylphenyl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796698
1-[2-(2-chlorophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134129
8-[2-(2-methylphenyl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668836
1-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-2-(2-methylphenyl)ethanone
CID 155990898
3-amino-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119311717
2-(2-methylphenyl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073706

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid (CID 63124786) is 4-ethyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)Cc2ccccc2C)CC1.
What is the InChIKey of 4-ethyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is VNPIJILWHMRMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-17(16(20)21)8-10-18(11-9-17)15(19)12-14-7-5-4-6-13(14)2/h4-7H,3,8-12H2,1-2H3,(H,20,21).
What are the key properties of 4-ethyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid?
4-ethyl-1-[2-(2-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-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63124786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).