2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylethyl)piperidine-3-carboxylic acid

C15H26N2O3 — CID 62303069

IUPAC2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylethyl)piperidine-3-carboxylic acid
SMILESCC1CC(=O)N(CCN2CCCCC2)C(C)C1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-11-10-13(18)17(12(2)14(11)15(19)20)9-8-16-6-4-3-5-7-16/h11-12,14H,3-10H2,1-2H3,(H,19,20)
InChIKeyXLCVFUPJLGRZIV-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.43
Rot. Bonds4

About 2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylethyl)piperidine-3-carboxylic acid

2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylethyl)piperidine-3-carboxylic acid (PubChem CID 62303069) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylethyl)piperidine-3-carboxylic acid
PubChem CID62303069
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylethyl)piperidine-3-carboxylic acid
SMILESCC1CC(=O)N(CCN2CCCCC2)C(C)C1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-11-10-13(18)17(12(2)14(11)15(19)20)9-8-16-6-4-3-5-7-16/h11-12,14H,3-10H2,1-2H3,(H,19,20)
InChIKeyXLCVFUPJLGRZIV-UHFFFAOYSA-N
XLogP1.43
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 55057746
2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylpropyl)piperidine-3-carboxylic acid
CID 62302255
1-[2-[cyclopentyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 63316003
2,4-dimethyl-6-oxo-1-(3-sulfamoylpropyl)piperidine-3-carboxylic acid
CID 62302875
2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
CID 55057513
2,4-dimethyl-1-[4-[methyl(propan-2-yl)amino]butyl]-6-oxopiperidine-3-carboxylic acid
CID 62302379
2,4-dimethyl-1-[2-(3-methylbutoxy)ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62302258
(3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid
CID 29136485
2-oxo-3-(2-piperidin-1-ylethyl)-1,3-oxazolidine-4-carboxylic acid
CID 115102549
2,4-dimethyl-1-(4-methylpentan-2-yl)-6-oxopiperidine-3-carboxylic acid
CID 62303047
(2R,3R)-2-(1-methylpyrazol-4-yl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 95763632
1-[(3-methoxyoxolan-3-yl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 104765879

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylethyl)piperidine-3-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylethyl)piperidine-3-carboxylic acid (CID 62303069) is 2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylethyl)piperidine-3-carboxylic acid is CC1CC(=O)N(CCN2CCCCC2)C(C)C1C(=O)O.
What is the InChIKey of 2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylethyl)piperidine-3-carboxylic acid?
The InChIKey is XLCVFUPJLGRZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-10-13(18)17(12(2)14(11)15(19)20)9-8-16-6-4-3-5-7-16/h11-12,14H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylethyl)piperidine-3-carboxylic acid?
2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylethyl)piperidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 62303069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).