1-piperidin-1-yloctadeca-9,12-dien-1-one

C23H41NO — CID 154084629

IUPAC1-piperidin-1-yloctadeca-9,12-dien-1-one
SMILESCCCCCC=CCC=CCCCCCCCC(=O)N1CCCCC1
InChIInChI=1S/C23H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(25)24-21-18-16-19-22-24/h6-7,9-10H,2-5,8,11-22H2,1H3
InChIKeyUQQYNIWNANGMEW-UHFFFAOYSA-N
MW347.59 g/mol
LogP6.81
Rot. Bonds14

About 1-piperidin-1-yloctadeca-9,12-dien-1-one

1-piperidin-1-yloctadeca-9,12-dien-1-one (PubChem CID 154084629) has the molecular formula C23H41NO and a molecular weight of 347.59 g/mol. Its IUPAC name is 1-piperidin-1-yloctadeca-9,12-dien-1-one.

Molecular Properties

Compound Name1-piperidin-1-yloctadeca-9,12-dien-1-one
PubChem CID154084629
Molecular FormulaC23H41NO
Molecular Weight347.59 g/mol
Exact Mass347.32
IUPAC Name1-piperidin-1-yloctadeca-9,12-dien-1-one
SMILESCCCCCC=CCC=CCCCCCCCC(=O)N1CCCCC1
InChIInChI=1S/C23H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(25)24-21-18-16-19-22-24/h6-7,9-10H,2-5,8,11-22H2,1H3
InChIKeyUQQYNIWNANGMEW-UHFFFAOYSA-N
XLogP6.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.59
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yloctadeca-9,12-dien-1-one?
The IUPAC name of 1-piperidin-1-yloctadeca-9,12-dien-1-one (CID 154084629) is 1-piperidin-1-yloctadeca-9,12-dien-1-one.
What is the SMILES notation for 1-piperidin-1-yloctadeca-9,12-dien-1-one?
The canonical SMILES for 1-piperidin-1-yloctadeca-9,12-dien-1-one is CCCCCC=CCC=CCCCCCCCC(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yloctadeca-9,12-dien-1-one?
The InChIKey is UQQYNIWNANGMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(25)24-21-18-16-19-22-24/h6-7,9-10H,2-5,8,11-22H2,1H3.
What are the key properties of 1-piperidin-1-yloctadeca-9,12-dien-1-one?
1-piperidin-1-yloctadeca-9,12-dien-1-one has a molecular weight of 347.59 g/mol, XLogP of 6.81, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yloctadeca-9,12-dien-1-one is sourced from PubChem (CID 154084629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).