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

C16H27NO3 — CID 64916058

IUPAC1-(3-ethyl-2-methylcyclopentyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
SMILESCCC1CCC(N2C(=O)CC(C)C(C(=O)O)C2C)C1C
InChIInChI=1S/C16H27NO3/c1-5-12-6-7-13(10(12)3)17-11(4)15(16(19)20)9(2)8-14(17)18/h9-13,15H,5-8H2,1-4H3,(H,19,20)
InChIKeyXNIPXYVPKLEJIO-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.77
Rot. Bonds3

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

1-(3-ethyl-2-methylcyclopentyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid (PubChem CID 64916058) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(3-ethyl-2-methylcyclopentyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethyl-2-methylcyclopentyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
PubChem CID64916058
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(3-ethyl-2-methylcyclopentyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
SMILESCCC1CCC(N2C(=O)CC(C)C(C(=O)O)C2C)C1C
InChIInChI=1S/C16H27NO3/c1-5-12-6-7-13(10(12)3)17-11(4)15(16(19)20)9(2)8-14(17)18/h9-13,15H,5-8H2,1-4H3,(H,19,20)
InChIKeyXNIPXYVPKLEJIO-UHFFFAOYSA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-6-oxo-1-(4-propylcyclohexyl)piperidine-3-carboxylic acid
CID 62303078
2,4-dimethyl-1-(oxan-3-yl)-6-oxopiperidine-3-carboxylic acid
CID 63361409
2,4-dimethyl-6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 55057746
1-(2-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62302568
2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
CID 55057513
1-(4-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62302419
2,4-dimethyl-1-(4-methylpentan-2-yl)-6-oxopiperidine-3-carboxylic acid
CID 62303047
2,4-dimethyl-6-oxo-1-(3-sulfamoylpropyl)piperidine-3-carboxylic acid
CID 62302875
5-butan-2-yl-2-ethyl-3-(3-ethyl-2-methylcyclopentyl)imidazolidin-4-one
CID 83259292
1-(3-ethyl-2-methylcyclopentyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64973457
1-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62303080
2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylethyl)piperidine-3-carboxylic acid
CID 62303069

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-methylcyclopentyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-ethyl-2-methylcyclopentyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid (CID 64916058) is 1-(3-ethyl-2-methylcyclopentyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-ethyl-2-methylcyclopentyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-ethyl-2-methylcyclopentyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid is CCC1CCC(N2C(=O)CC(C)C(C(=O)O)C2C)C1C.
What is the InChIKey of 1-(3-ethyl-2-methylcyclopentyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The InChIKey is XNIPXYVPKLEJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-12-6-7-13(10(12)3)17-11(4)15(16(19)20)9(2)8-14(17)18/h9-13,15H,5-8H2,1-4H3,(H,19,20).
What are the key properties of 1-(3-ethyl-2-methylcyclopentyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
1-(3-ethyl-2-methylcyclopentyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-methylcyclopentyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 64916058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).