1-piperidin-1-yltetradeca-2,4,6,10-tetraen-8-yn-1-one

C19H25NO — CID 162891167

IUPAC1-piperidin-1-yltetradeca-2,4,6,10-tetraen-8-yn-1-one
SMILESCCCC=CC#CC=CC=CC=CC(=O)N1CCCCC1
InChIInChI=1S/C19H25NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-19(21)20-17-14-12-15-18-20/h4-5,8-11,13,16H,2-3,12,14-15,17-18H2,1H3
InChIKeyFXMWOIBPXOJROS-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.03
Rot. Bonds5

About 1-piperidin-1-yltetradeca-2,4,6,10-tetraen-8-yn-1-one

1-piperidin-1-yltetradeca-2,4,6,10-tetraen-8-yn-1-one (PubChem CID 162891167) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-piperidin-1-yltetradeca-2,4,6,10-tetraen-8-yn-1-one.

Molecular Properties

Compound Name1-piperidin-1-yltetradeca-2,4,6,10-tetraen-8-yn-1-one
PubChem CID162891167
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-piperidin-1-yltetradeca-2,4,6,10-tetraen-8-yn-1-one
SMILESCCCC=CC#CC=CC=CC=CC(=O)N1CCCCC1
InChIInChI=1S/C19H25NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-19(21)20-17-14-12-15-18-20/h4-5,8-11,13,16H,2-3,12,14-15,17-18H2,1H3
InChIKeyFXMWOIBPXOJROS-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-yltetradeca-2,4,6,10-tetraen-8-yn-1-one?
The IUPAC name of 1-piperidin-1-yltetradeca-2,4,6,10-tetraen-8-yn-1-one (CID 162891167) is 1-piperidin-1-yltetradeca-2,4,6,10-tetraen-8-yn-1-one.
What is the SMILES notation for 1-piperidin-1-yltetradeca-2,4,6,10-tetraen-8-yn-1-one?
The canonical SMILES for 1-piperidin-1-yltetradeca-2,4,6,10-tetraen-8-yn-1-one is CCCC=CC#CC=CC=CC=CC(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yltetradeca-2,4,6,10-tetraen-8-yn-1-one?
The InChIKey is FXMWOIBPXOJROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-19(21)20-17-14-12-15-18-20/h4-5,8-11,13,16H,2-3,12,14-15,17-18H2,1H3.
What are the key properties of 1-piperidin-1-yltetradeca-2,4,6,10-tetraen-8-yn-1-one?
1-piperidin-1-yltetradeca-2,4,6,10-tetraen-8-yn-1-one has a molecular weight of 283.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yltetradeca-2,4,6,10-tetraen-8-yn-1-one is sourced from PubChem (CID 162891167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).