6-oxo-1-tetradecylpiperidine-3-carboxylic acid

C20H37NO3 — CID 123215271

IUPAC6-oxo-1-tetradecylpiperidine-3-carboxylic acid
SMILESCCCCCCCCCCCCCCN1CC(C(=O)O)CCC1=O
InChIInChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-17-18(20(23)24)14-15-19(21)22/h18H,2-17H2,1H3,(H,23,24)
InChIKeyWVUYAUIUMZUIRB-UHFFFAOYSA-N
MW339.52 g/mol
LogP5.01
Rot. Bonds14

About 6-oxo-1-tetradecylpiperidine-3-carboxylic acid

6-oxo-1-tetradecylpiperidine-3-carboxylic acid (PubChem CID 123215271) has the molecular formula C20H37NO3 and a molecular weight of 339.52 g/mol. Its IUPAC name is 6-oxo-1-tetradecylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-tetradecylpiperidine-3-carboxylic acid
PubChem CID123215271
Molecular FormulaC20H37NO3
Molecular Weight339.52 g/mol
Exact Mass339.28
IUPAC Name6-oxo-1-tetradecylpiperidine-3-carboxylic acid
SMILESCCCCCCCCCCCCCCN1CC(C(=O)O)CCC1=O
InChIInChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-17-18(20(23)24)14-15-19(21)22/h18H,2-17H2,1H3,(H,23,24)
InChIKeyWVUYAUIUMZUIRB-UHFFFAOYSA-N
XLogP5.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 55.01
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

6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 62230465
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid
CID 62301232
1-(2-ethylhexyl)-6-oxopiperidine-3-carboxylic acid
CID 62216405
1-[2-[ethyl(methyl)amino]ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62639907
1-[(E)-docos-13-enyl]-5-oxopyrrolidine-3-carboxylic acid
CID 6366428
5-amino-1-dodecylpiperidin-2-one
CID 64977984
6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid
CID 114333959
1-methyl-6-oxopiperidine-3-carboxylic acid
CID 25247731
5-amino-1-pentylpiperidin-2-one
CID 64977965
1-pentadecyl-5-propan-2-ylpiperidin-2-one
CID 166871927

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-tetradecylpiperidine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-tetradecylpiperidine-3-carboxylic acid (CID 123215271) is 6-oxo-1-tetradecylpiperidine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-tetradecylpiperidine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-tetradecylpiperidine-3-carboxylic acid is CCCCCCCCCCCCCCN1CC(C(=O)O)CCC1=O.
What is the InChIKey of 6-oxo-1-tetradecylpiperidine-3-carboxylic acid?
The InChIKey is WVUYAUIUMZUIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21-17-18(20(23)24)14-15-19(21)22/h18H,2-17H2,1H3,(H,23,24).
What are the key properties of 6-oxo-1-tetradecylpiperidine-3-carboxylic acid?
6-oxo-1-tetradecylpiperidine-3-carboxylic acid has a molecular weight of 339.52 g/mol, XLogP of 5.01, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-tetradecylpiperidine-3-carboxylic acid is sourced from PubChem (CID 123215271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).