(2E,4E,8Z,11Z)-1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one

C19H29NO — CID 11403481

IUPAC(2E,4E,8Z,11Z)-1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one
SMILESCC/C=C\C/C=C\CC/C=C/C=C/C(=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/b4-3-,7-6-,11-10+,16-13+
InChIKeyTWCMDSRVYIRBCV-NRQSZABTSA-N
MW287.45 g/mol
LogP4.80
Rot. Bonds8

About (2E,4E,8Z,11Z)-1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one

(2E,4E,8Z,11Z)-1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one (PubChem CID 11403481) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (2E,4E,8Z,11Z)-1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one.

Molecular Properties

Compound Name(2E,4E,8Z,11Z)-1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one
PubChem CID11403481
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(2E,4E,8Z,11Z)-1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one
SMILESCC/C=C\C/C=C\CC/C=C/C=C/C(=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/b4-3-,7-6-,11-10+,16-13+
InChIKeyTWCMDSRVYIRBCV-NRQSZABTSA-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 (2E,4E,8Z,11Z)-1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one?
The IUPAC name of (2E,4E,8Z,11Z)-1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one (CID 11403481) is (2E,4E,8Z,11Z)-1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one.
What is the SMILES notation for (2E,4E,8Z,11Z)-1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one?
The canonical SMILES for (2E,4E,8Z,11Z)-1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one is CC/C=C\C/C=C\CC/C=C/C=C/C(=O)N1CCCCC1.
What is the InChIKey of (2E,4E,8Z,11Z)-1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one?
The InChIKey is TWCMDSRVYIRBCV-NRQSZABTSA-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/b4-3-,7-6-,11-10+,16-13+.
What are the key properties of (2E,4E,8Z,11Z)-1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one?
(2E,4E,8Z,11Z)-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 (2E,4E,8Z,11Z)-1-piperidin-1-yltetradeca-2,4,8,11-tetraen-1-one is sourced from PubChem (CID 11403481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).