2,4-dimethyl-6-oxo-1-pentylpiperidine-3-carboxylic acid

C13H23NO3 — CID 55057746

IUPAC2,4-dimethyl-6-oxo-1-pentylpiperidine-3-carboxylic acid
SMILESCCCCCN1C(=O)CC(C)C(C(=O)O)C1C
InChIInChI=1S/C13H23NO3/c1-4-5-6-7-14-10(3)12(13(16)17)9(2)8-11(14)15/h9-10,12H,4-8H2,1-3H3,(H,16,17)
InChIKeyQYNHYEQQRLUWTP-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.13
Rot. Bonds5

About 2,4-dimethyl-6-oxo-1-pentylpiperidine-3-carboxylic acid

2,4-dimethyl-6-oxo-1-pentylpiperidine-3-carboxylic acid (PubChem CID 55057746) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-1-pentylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-1-pentylpiperidine-3-carboxylic acid
PubChem CID55057746
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2,4-dimethyl-6-oxo-1-pentylpiperidine-3-carboxylic acid
SMILESCCCCCN1C(=O)CC(C)C(C(=O)O)C1C
InChIInChI=1S/C13H23NO3/c1-4-5-6-7-14-10(3)12(13(16)17)9(2)8-11(14)15/h9-10,12H,4-8H2,1-3H3,(H,16,17)
InChIKeyQYNHYEQQRLUWTP-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-6-oxo-1-(3-sulfamoylpropyl)piperidine-3-carboxylic acid
CID 62302875
2,4-dimethyl-1-[4-[methyl(propan-2-yl)amino]butyl]-6-oxopiperidine-3-carboxylic acid
CID 62302379
2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylethyl)piperidine-3-carboxylic acid
CID 62303069
2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
CID 55057513
(2R,3S)-2-methyl-1-[(Z)-octadec-9-enyl]-5-oxopyrrolidine-3-carboxylic acid
CID 167202161
1-[2-[cyclopentyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 63316003
2,4-dimethyl-1-[2-(3-methylbutoxy)ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62302258
(2R,3S)-2-methyl-1-[(9Z,12Z)-octadeca-9,12-dienyl]-5-oxopyrrolidine-3-carboxylic acid
CID 167202384
(2R,3S)-1-dodecyl-5-oxo-2-undecylpyrrolidine-3-carboxylic acid
CID 171432322
2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylpropyl)piperidine-3-carboxylic acid
CID 62302255
(2S,3R)-1-dodecyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 99119850
2,4-dimethyl-6-oxo-1-(4-propylcyclohexyl)piperidine-3-carboxylic acid
CID 62303078

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-1-pentylpiperidine-3-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-oxo-1-pentylpiperidine-3-carboxylic acid (CID 55057746) is 2,4-dimethyl-6-oxo-1-pentylpiperidine-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-oxo-1-pentylpiperidine-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-oxo-1-pentylpiperidine-3-carboxylic acid is CCCCCN1C(=O)CC(C)C(C(=O)O)C1C.
What is the InChIKey of 2,4-dimethyl-6-oxo-1-pentylpiperidine-3-carboxylic acid?
The InChIKey is QYNHYEQQRLUWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-5-6-7-14-10(3)12(13(16)17)9(2)8-11(14)15/h9-10,12H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 2,4-dimethyl-6-oxo-1-pentylpiperidine-3-carboxylic acid?
2,4-dimethyl-6-oxo-1-pentylpiperidine-3-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 2.13, 5 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-pentylpiperidine-3-carboxylic acid is sourced from PubChem (CID 55057746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).