6-oxo-1-pentylpiperidine-3-carboxylic acid

C11H19NO3 — CID 62230465

IUPAC6-oxo-1-pentylpiperidine-3-carboxylic acid
SMILESCCCCCN1CC(C(=O)O)CCC1=O
InChIInChI=1S/C11H19NO3/c1-2-3-4-7-12-8-9(11(14)15)5-6-10(12)13/h9H,2-8H2,1H3,(H,14,15)
InChIKeyJIIDMBCCVFJUTQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds5

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

6-oxo-1-pentylpiperidine-3-carboxylic acid (PubChem CID 62230465) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 6-oxo-1-pentylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-pentylpiperidine-3-carboxylic acid
PubChem CID62230465
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name6-oxo-1-pentylpiperidine-3-carboxylic acid
SMILESCCCCCN1CC(C(=O)O)CCC1=O
InChIInChI=1S/C11H19NO3/c1-2-3-4-7-12-8-9(11(14)15)5-6-10(12)13/h9H,2-8H2,1H3,(H,14,15)
InChIKeyJIIDMBCCVFJUTQ-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
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-tetradecylpiperidine-3-carboxylic acid
CID 123215271
(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
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-[(E)-docos-13-enyl]-5-oxopyrrolidine-3-carboxylic acid
CID 6366428
5-amino-1-dodecylpiperidin-2-one
CID 64977984
1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid
CID 62303211

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-pentylpiperidine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-pentylpiperidine-3-carboxylic acid (CID 62230465) is 6-oxo-1-pentylpiperidine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-pentylpiperidine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-pentylpiperidine-3-carboxylic acid is CCCCCN1CC(C(=O)O)CCC1=O.
What is the InChIKey of 6-oxo-1-pentylpiperidine-3-carboxylic acid?
The InChIKey is JIIDMBCCVFJUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-3-4-7-12-8-9(11(14)15)5-6-10(12)13/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 6-oxo-1-pentylpiperidine-3-carboxylic acid?
6-oxo-1-pentylpiperidine-3-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-pentylpiperidine-3-carboxylic acid is sourced from PubChem (CID 62230465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).