1-(4-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid

C16H21NO3 — CID 62302419

IUPAC1-(4-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
SMILESCCc1ccc(N2C(=O)CC(C)C(C(=O)O)C2C)cc1
InChIInChI=1S/C16H21NO3/c1-4-12-5-7-13(8-6-12)17-11(3)15(16(19)20)10(2)9-14(17)18/h5-8,10-11,15H,4,9H2,1-3H3,(H,19,20)
InChIKeyNOUWBXBXZRLOBT-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.71
Rot. Bonds3

About 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid

1-(4-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid (PubChem CID 62302419) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
PubChem CID62302419
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-(4-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
SMILESCCc1ccc(N2C(=O)CC(C)C(C(=O)O)C2C)cc1
InChIInChI=1S/C16H21NO3/c1-4-12-5-7-13(8-6-12)17-11(3)15(16(19)20)10(2)9-14(17)18/h5-8,10-11,15H,4,9H2,1-3H3,(H,19,20)
InChIKeyNOUWBXBXZRLOBT-UHFFFAOYSA-N
XLogP2.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid (CID 62302419) is 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid is CCc1ccc(N2C(=O)CC(C)C(C(=O)O)C2C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The InChIKey is NOUWBXBXZRLOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-12-5-7-13(8-6-12)17-11(3)15(16(19)20)10(2)9-14(17)18/h5-8,10-11,15H,4,9H2,1-3H3,(H,19,20).
What are the key properties of 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
1-(4-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 62302419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).