azonan-2-one;6-heptylpiperidin-2-one

C20H38N2O2 — CID 70430159

IUPACazonan-2-one;6-heptylpiperidin-2-one
SMILESCCCCCCCC1CCCC(=O)N1.O=C1CCCCCCCN1
InChIInChI=1S/C12H23NO.C8H15NO/c1-2-3-4-5-6-8-11-9-7-10-12(14)13-11;10-8-6-4-2-1-3-5-7-9-8/h11H,2-10H2,1H3,(H,13,14);1-7H2,(H,9,10)
InChIKeyDJTIAKNSPUMXSZ-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.47
Rot. Bonds6

About azonan-2-one;6-heptylpiperidin-2-one

azonan-2-one;6-heptylpiperidin-2-one (PubChem CID 70430159) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is azonan-2-one;6-heptylpiperidin-2-one.

Molecular Properties

Compound Nameazonan-2-one;6-heptylpiperidin-2-one
PubChem CID70430159
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC Nameazonan-2-one;6-heptylpiperidin-2-one
SMILESCCCCCCCC1CCCC(=O)N1.O=C1CCCCCCCN1
InChIInChI=1S/C12H23NO.C8H15NO/c1-2-3-4-5-6-8-11-9-7-10-12(14)13-11;10-8-6-4-2-1-3-5-7-9-8/h11H,2-10H2,1H3,(H,13,14);1-7H2,(H,9,10)
InChIKeyDJTIAKNSPUMXSZ-UHFFFAOYSA-N
XLogP4.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.47
H-Bond Donors ≤ 52
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 azonan-2-one;6-heptylpiperidin-2-one?
The IUPAC name of azonan-2-one;6-heptylpiperidin-2-one (CID 70430159) is azonan-2-one;6-heptylpiperidin-2-one.
What is the SMILES notation for azonan-2-one;6-heptylpiperidin-2-one?
The canonical SMILES for azonan-2-one;6-heptylpiperidin-2-one is CCCCCCCC1CCCC(=O)N1.O=C1CCCCCCCN1.
What is the InChIKey of azonan-2-one;6-heptylpiperidin-2-one?
The InChIKey is DJTIAKNSPUMXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.C8H15NO/c1-2-3-4-5-6-8-11-9-7-10-12(14)13-11;10-8-6-4-2-1-3-5-7-9-8/h11H,2-10H2,1H3,(H,13,14);1-7H2,(H,9,10).
What are the key properties of azonan-2-one;6-heptylpiperidin-2-one?
azonan-2-one;6-heptylpiperidin-2-one has a molecular weight of 338.54 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azonan-2-one;6-heptylpiperidin-2-one is sourced from PubChem (CID 70430159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).