1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one

C19H29NO — CID 72833752

IUPAC1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one
SMILESCCC=CCC=CCCC=CC=CC(=O)N1CCCCC1
InChIInChI=1S/C19H29NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-19(21)20-17-14-12-15-18-20/h3-4,6-7,10-11,13,16H,2,5,8-9,12,14-15,17-18H2,1H3
InChIKeyTWCMDSRVYIRBCV-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.80
Rot. Bonds8

About 1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one

1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one (PubChem CID 72833752) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one.

Molecular Properties

Compound Name1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one
PubChem CID72833752
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one
SMILESCCC=CCC=CCCC=CC=CC(=O)N1CCCCC1
InChIInChI=1S/C19H29NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-19(21)20-17-14-12-15-18-20/h3-4,6-7,10-11,13,16H,2,5,8-9,12,14-15,17-18H2,1H3
InChIKeyTWCMDSRVYIRBCV-UHFFFAOYSA-N
XLogP4.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.80
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one?
The IUPAC name of 1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one (CID 72833752) is 1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one.
What is the SMILES notation for 1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one?
The canonical SMILES for 1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one is CCC=CCC=CCCC=CC=CC(=O)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one?
The InChIKey is TWCMDSRVYIRBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-3-4-5-6-7-8-9-10-11-13-16-19(21)20-17-14-12-15-18-20/h3-4,6-7,10-11,13,16H,2,5,8-9,12,14-15,17-18H2,1H3.
What are the key properties of 1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one?
1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one has a molecular weight of 287.45 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one is sourced from PubChem (CID 72833752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).