1-piperidin-1-ylundeca-2,4-dien-8,10-diyn-1-one

C16H19NO — CID 71333288

IUPAC1-piperidin-1-ylundeca-2,4-dien-8,10-diyn-1-one
SMILESC#CC#CCCC=CC=CC(=O)N1CCCCC1
InChIInChI=1S/C16H19NO/c1-2-3-4-5-6-7-8-10-13-16(18)17-14-11-9-12-15-17/h1,7-8,10,13H,5-6,9,11-12,14-15H2
InChIKeyJGKXLHHRMGZICC-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.53
Rot. Bonds4

About 1-piperidin-1-ylundeca-2,4-dien-8,10-diyn-1-one

1-piperidin-1-ylundeca-2,4-dien-8,10-diyn-1-one (PubChem CID 71333288) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-piperidin-1-ylundeca-2,4-dien-8,10-diyn-1-one.

Molecular Properties

Compound Name1-piperidin-1-ylundeca-2,4-dien-8,10-diyn-1-one
PubChem CID71333288
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-piperidin-1-ylundeca-2,4-dien-8,10-diyn-1-one
SMILESC#CC#CCCC=CC=CC(=O)N1CCCCC1
InChIInChI=1S/C16H19NO/c1-2-3-4-5-6-7-8-10-13-16(18)17-14-11-9-12-15-17/h1,7-8,10,13H,5-6,9,11-12,14-15H2
InChIKeyJGKXLHHRMGZICC-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylundeca-2,4-dien-8,10-diyn-1-one?
The IUPAC name of 1-piperidin-1-ylundeca-2,4-dien-8,10-diyn-1-one (CID 71333288) is 1-piperidin-1-ylundeca-2,4-dien-8,10-diyn-1-one.
What is the SMILES notation for 1-piperidin-1-ylundeca-2,4-dien-8,10-diyn-1-one?
The canonical SMILES for 1-piperidin-1-ylundeca-2,4-dien-8,10-diyn-1-one is C#CC#CCCC=CC=CC(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylundeca-2,4-dien-8,10-diyn-1-one?
The InChIKey is JGKXLHHRMGZICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-3-4-5-6-7-8-10-13-16(18)17-14-11-9-12-15-17/h1,7-8,10,13H,5-6,9,11-12,14-15H2.
What are the key properties of 1-piperidin-1-ylundeca-2,4-dien-8,10-diyn-1-one?
1-piperidin-1-ylundeca-2,4-dien-8,10-diyn-1-one has a molecular weight of 241.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylundeca-2,4-dien-8,10-diyn-1-one is sourced from PubChem (CID 71333288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).