7-[2-oxo-6-(3-oxooctyl)piperidin-1-yl]heptanoic acid

C20H35NO4 — CID 10043659

IUPAC7-[2-oxo-6-(3-oxooctyl)piperidin-1-yl]heptanoic acid
SMILESCCCCCC(=O)CCC1CCCC(=O)N1CCCCCCC(=O)O
InChIInChI=1S/C20H35NO4/c1-2-3-6-11-18(22)15-14-17-10-9-12-19(23)21(17)16-8-5-4-7-13-20(24)25/h17H,2-16H2,1H3,(H,24,25)
InChIKeyKOKBMFKDJUZLRY-UHFFFAOYSA-N
MW353.50 g/mol
LogP4.33
Rot. Bonds14

About 7-[2-oxo-6-(3-oxooctyl)piperidin-1-yl]heptanoic acid

7-[2-oxo-6-(3-oxooctyl)piperidin-1-yl]heptanoic acid (PubChem CID 10043659) has the molecular formula C20H35NO4 and a molecular weight of 353.50 g/mol. Its IUPAC name is 7-[2-oxo-6-(3-oxooctyl)piperidin-1-yl]heptanoic acid.

Molecular Properties

Compound Name7-[2-oxo-6-(3-oxooctyl)piperidin-1-yl]heptanoic acid
PubChem CID10043659
Molecular FormulaC20H35NO4
Molecular Weight353.50 g/mol
Exact Mass353.26
IUPAC Name7-[2-oxo-6-(3-oxooctyl)piperidin-1-yl]heptanoic acid
SMILESCCCCCC(=O)CCC1CCCC(=O)N1CCCCCCC(=O)O
InChIInChI=1S/C20H35NO4/c1-2-3-6-11-18(22)15-14-17-10-9-12-19(23)21(17)16-8-5-4-7-13-20(24)25/h17H,2-16H2,1H3,(H,24,25)
InChIKeyKOKBMFKDJUZLRY-UHFFFAOYSA-N
XLogP4.33
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 7-[2-oxo-6-(3-oxooctyl)piperidin-1-yl]heptanoic acid?
The IUPAC name of 7-[2-oxo-6-(3-oxooctyl)piperidin-1-yl]heptanoic acid (CID 10043659) is 7-[2-oxo-6-(3-oxooctyl)piperidin-1-yl]heptanoic acid.
What is the SMILES notation for 7-[2-oxo-6-(3-oxooctyl)piperidin-1-yl]heptanoic acid?
The canonical SMILES for 7-[2-oxo-6-(3-oxooctyl)piperidin-1-yl]heptanoic acid is CCCCCC(=O)CCC1CCCC(=O)N1CCCCCCC(=O)O.
What is the InChIKey of 7-[2-oxo-6-(3-oxooctyl)piperidin-1-yl]heptanoic acid?
The InChIKey is KOKBMFKDJUZLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO4/c1-2-3-6-11-18(22)15-14-17-10-9-12-19(23)21(17)16-8-5-4-7-13-20(24)25/h17H,2-16H2,1H3,(H,24,25).
What are the key properties of 7-[2-oxo-6-(3-oxooctyl)piperidin-1-yl]heptanoic acid?
7-[2-oxo-6-(3-oxooctyl)piperidin-1-yl]heptanoic acid has a molecular weight of 353.50 g/mol, XLogP of 4.33, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-oxo-6-(3-oxooctyl)piperidin-1-yl]heptanoic acid is sourced from PubChem (CID 10043659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).