6-oxo-6-piperidin-1-ylhexanoic acid

C11H19NO3 — CID 14399274

IUPAC6-oxo-6-piperidin-1-ylhexanoic acid
SMILESO=C(O)CCCCC(=O)N1CCCCC1
InChIInChI=1S/C11H19NO3/c13-10(6-2-3-7-11(14)15)12-8-4-1-5-9-12/h1-9H2,(H,14,15)
InChIKeyOVGGJNHYFNKCRK-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.64
Rot. Bonds5

About 6-oxo-6-piperidin-1-ylhexanoic acid

6-oxo-6-piperidin-1-ylhexanoic acid (PubChem CID 14399274) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 6-oxo-6-piperidin-1-ylhexanoic acid.

Molecular Properties

Compound Name6-oxo-6-piperidin-1-ylhexanoic acid
PubChem CID14399274
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name6-oxo-6-piperidin-1-ylhexanoic acid
SMILESO=C(O)CCCCC(=O)N1CCCCC1
InChIInChI=1S/C11H19NO3/c13-10(6-2-3-7-11(14)15)12-8-4-1-5-9-12/h1-9H2,(H,14,15)
InChIKeyOVGGJNHYFNKCRK-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
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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Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-piperidin-1-ylhexanoic acid?
The IUPAC name of 6-oxo-6-piperidin-1-ylhexanoic acid (CID 14399274) is 6-oxo-6-piperidin-1-ylhexanoic acid.
What is the SMILES notation for 6-oxo-6-piperidin-1-ylhexanoic acid?
The canonical SMILES for 6-oxo-6-piperidin-1-ylhexanoic acid is O=C(O)CCCCC(=O)N1CCCCC1.
What is the InChIKey of 6-oxo-6-piperidin-1-ylhexanoic acid?
The InChIKey is OVGGJNHYFNKCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-10(6-2-3-7-11(14)15)12-8-4-1-5-9-12/h1-9H2,(H,14,15).
What are the key properties of 6-oxo-6-piperidin-1-ylhexanoic acid?
6-oxo-6-piperidin-1-ylhexanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-piperidin-1-ylhexanoic acid is sourced from PubChem (CID 14399274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).