(2E,4E)-1-piperidin-1-yloctadeca-2,4-dien-1-one

C23H41NO — CID 11782985

IUPAC(2E,4E)-1-piperidin-1-yloctadeca-2,4-dien-1-one
SMILESCCCCCCCCCCCCC/C=C/C=C/C(=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/h14-15,17,20H,2-13,16,18-19,21-22H2,1H3/b15-14+,20-17+
InChIKeyFCENBYBCTXRIOT-QDHVZSLHSA-N
MW347.59 g/mol
LogP6.81
Rot. Bonds14

About (2E,4E)-1-piperidin-1-yloctadeca-2,4-dien-1-one

(2E,4E)-1-piperidin-1-yloctadeca-2,4-dien-1-one (PubChem CID 11782985) has the molecular formula C23H41NO and a molecular weight of 347.59 g/mol. Its IUPAC name is (2E,4E)-1-piperidin-1-yloctadeca-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-1-piperidin-1-yloctadeca-2,4-dien-1-one
PubChem CID11782985
Molecular FormulaC23H41NO
Molecular Weight347.59 g/mol
Exact Mass347.32
IUPAC Name(2E,4E)-1-piperidin-1-yloctadeca-2,4-dien-1-one
SMILESCCCCCCCCCCCCC/C=C/C=C/C(=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/h14-15,17,20H,2-13,16,18-19,21-22H2,1H3/b15-14+,20-17+
InChIKeyFCENBYBCTXRIOT-QDHVZSLHSA-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': '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)-1-piperidin-1-yloctadeca-2,4-dien-1-one?
The IUPAC name of (2E,4E)-1-piperidin-1-yloctadeca-2,4-dien-1-one (CID 11782985) is (2E,4E)-1-piperidin-1-yloctadeca-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-1-piperidin-1-yloctadeca-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-1-piperidin-1-yloctadeca-2,4-dien-1-one is CCCCCCCCCCCCC/C=C/C=C/C(=O)N1CCCCC1.
What is the InChIKey of (2E,4E)-1-piperidin-1-yloctadeca-2,4-dien-1-one?
The InChIKey is FCENBYBCTXRIOT-QDHVZSLHSA-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/h14-15,17,20H,2-13,16,18-19,21-22H2,1H3/b15-14+,20-17+.
What are the key properties of (2E,4E)-1-piperidin-1-yloctadeca-2,4-dien-1-one?
(2E,4E)-1-piperidin-1-yloctadeca-2,4-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 (2E,4E)-1-piperidin-1-yloctadeca-2,4-dien-1-one is sourced from PubChem (CID 11782985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).