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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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).