2,4-dimethyl-6-oxo-1-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid

C17H23NO3 — CID 62302716

IUPAC2,4-dimethyl-6-oxo-1-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid
SMILESCC(C)c1ccc(N2C(=O)CC(C)C(C(=O)O)C2C)cc1
InChIInChI=1S/C17H23NO3/c1-10(2)13-5-7-14(8-6-13)18-12(4)16(17(20)21)11(3)9-15(18)19/h5-8,10-12,16H,9H2,1-4H3,(H,20,21)
InChIKeyJLNPNBJHEWHJPU-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.27
Rot. Bonds3

About 2,4-dimethyl-6-oxo-1-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid

2,4-dimethyl-6-oxo-1-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid (PubChem CID 62302716) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-1-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-1-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid
PubChem CID62302716
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2,4-dimethyl-6-oxo-1-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid
SMILESCC(C)c1ccc(N2C(=O)CC(C)C(C(=O)O)C2C)cc1
InChIInChI=1S/C17H23NO3/c1-10(2)13-5-7-14(8-6-13)18-12(4)16(17(20)21)11(3)9-15(18)19/h5-8,10-12,16H,9H2,1-4H3,(H,20,21)
InChIKeyJLNPNBJHEWHJPU-UHFFFAOYSA-N
XLogP3.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62302419
1-(2-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62302568
2,4-dimethyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62303074
1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylic acid
CID 151895326
2,4-dimethyl-1-(4-methylpentan-2-yl)-6-oxopiperidine-3-carboxylic acid
CID 62303047
(3S)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxylate
CID 6936682
1-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62303080
(3R)-5-oxo-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 686357
2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
CID 55057513
(3aR,7aS)-5,6-dimethyl-2-(4-propan-2-ylphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6925867
S-ethyl (2S,3S,4R)-1-(4-chlorophenyl)-4-methyl-6-oxo-2-phenylpiperidine-3-carbothioate
CID 15305326
2,4-dimethyl-1-[2-(3-methylbutoxy)ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62302258

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-1-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-oxo-1-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid (CID 62302716) is 2,4-dimethyl-6-oxo-1-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-oxo-1-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-oxo-1-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid is CC(C)c1ccc(N2C(=O)CC(C)C(C(=O)O)C2C)cc1.
What is the InChIKey of 2,4-dimethyl-6-oxo-1-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid?
The InChIKey is JLNPNBJHEWHJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-10(2)13-5-7-14(8-6-13)18-12(4)16(17(20)21)11(3)9-15(18)19/h5-8,10-12,16H,9H2,1-4H3,(H,20,21).
What are the key properties of 2,4-dimethyl-6-oxo-1-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid?
2,4-dimethyl-6-oxo-1-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-1-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 62302716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).