(4Z,7Z,10Z,13Z,16Z,19Z)-1-piperidin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one

C27H41NO — CID 142767321

IUPAC(4Z,7Z,10Z,13Z,16Z,19Z)-1-piperidin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)C1CCNCC1
InChIInChI=1S/C27H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(29)26-22-24-28-25-23-26/h3-4,6-7,9-10,12-13,15-16,18-19,26,28H,2,5,8,11,14,17,20-25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyIUNGJDFEHGJYSS-KUBAVDMBSA-N
MW395.63 g/mol
LogP7.03
Rot. Bonds15

About (4Z,7Z,10Z,13Z,16Z,19Z)-1-piperidin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one

(4Z,7Z,10Z,13Z,16Z,19Z)-1-piperidin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one (PubChem CID 142767321) has the molecular formula C27H41NO and a molecular weight of 395.63 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,16Z,19Z)-1-piperidin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z,16Z,19Z)-1-piperidin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one
PubChem CID142767321
Molecular FormulaC27H41NO
Molecular Weight395.63 g/mol
Exact Mass395.32
IUPAC Name(4Z,7Z,10Z,13Z,16Z,19Z)-1-piperidin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)C1CCNCC1
InChIInChI=1S/C27H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(29)26-22-24-28-25-23-26/h3-4,6-7,9-10,12-13,15-16,18-19,26,28H,2,5,8,11,14,17,20-25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKeyIUNGJDFEHGJYSS-KUBAVDMBSA-N
XLogP7.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.63
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4Z,7Z,10Z,13Z,16Z,19Z)-1-piperidin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-1-piperidin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one?
The IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-1-piperidin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one (CID 142767321) is (4Z,7Z,10Z,13Z,16Z,19Z)-1-piperidin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one.
What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z,19Z)-1-piperidin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one?
The canonical SMILES for (4Z,7Z,10Z,13Z,16Z,19Z)-1-piperidin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)C1CCNCC1.
What is the InChIKey of (4Z,7Z,10Z,13Z,16Z,19Z)-1-piperidin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one?
The InChIKey is IUNGJDFEHGJYSS-KUBAVDMBSA-N. The full InChI is InChI=1S/C27H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(29)26-22-24-28-25-23-26/h3-4,6-7,9-10,12-13,15-16,18-19,26,28H,2,5,8,11,14,17,20-25H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-.
What are the key properties of (4Z,7Z,10Z,13Z,16Z,19Z)-1-piperidin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one?
(4Z,7Z,10Z,13Z,16Z,19Z)-1-piperidin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one has a molecular weight of 395.63 g/mol, XLogP of 7.03, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,13Z,16Z,19Z)-1-piperidin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one is sourced from PubChem (CID 142767321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).