(4E,8E,12E)-5,9,13,17-tetramethyl-1-piperazin-1-yloctadeca-4,8,12,16-tetraen-1-one

C26H44N2O — CID 13306521

IUPAC(4E,8E,12E)-5,9,13,17-tetramethyl-1-piperazin-1-yloctadeca-4,8,12,16-tetraen-1-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(=O)N1CCNCC1
InChIInChI=1S/C26H44N2O/c1-22(2)10-6-11-23(3)12-7-13-24(4)14-8-15-25(5)16-9-17-26(29)28-20-18-27-19-21-28/h10,12,14,16,27H,6-9,11,13,15,17-21H2,1-5H3/b23-12+,24-14+,25-16+
InChIKeyDKSIUYSOIHDPDV-JZQMSYLWSA-N
MW400.65 g/mol
LogP6.34
Rot. Bonds12

About (4E,8E,12E)-5,9,13,17-tetramethyl-1-piperazin-1-yloctadeca-4,8,12,16-tetraen-1-one

(4E,8E,12E)-5,9,13,17-tetramethyl-1-piperazin-1-yloctadeca-4,8,12,16-tetraen-1-one (PubChem CID 13306521) has the molecular formula C26H44N2O and a molecular weight of 400.65 g/mol. Its IUPAC name is (4E,8E,12E)-5,9,13,17-tetramethyl-1-piperazin-1-yloctadeca-4,8,12,16-tetraen-1-one.

Molecular Properties

Compound Name(4E,8E,12E)-5,9,13,17-tetramethyl-1-piperazin-1-yloctadeca-4,8,12,16-tetraen-1-one
PubChem CID13306521
Molecular FormulaC26H44N2O
Molecular Weight400.65 g/mol
Exact Mass400.35
IUPAC Name(4E,8E,12E)-5,9,13,17-tetramethyl-1-piperazin-1-yloctadeca-4,8,12,16-tetraen-1-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(=O)N1CCNCC1
InChIInChI=1S/C26H44N2O/c1-22(2)10-6-11-23(3)12-7-13-24(4)14-8-15-25(5)16-9-17-26(29)28-20-18-27-19-21-28/h10,12,14,16,27H,6-9,11,13,15,17-21H2,1-5H3/b23-12+,24-14+,25-16+
InChIKeyDKSIUYSOIHDPDV-JZQMSYLWSA-N
XLogP6.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.65
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,8E,12E)-5,9,13,17-tetramethyl-1-piperazin-1-yloctadeca-4,8,12,16-tetraen-1-one?
The IUPAC name of (4E,8E,12E)-5,9,13,17-tetramethyl-1-piperazin-1-yloctadeca-4,8,12,16-tetraen-1-one (CID 13306521) is (4E,8E,12E)-5,9,13,17-tetramethyl-1-piperazin-1-yloctadeca-4,8,12,16-tetraen-1-one.
What is the SMILES notation for (4E,8E,12E)-5,9,13,17-tetramethyl-1-piperazin-1-yloctadeca-4,8,12,16-tetraen-1-one?
The canonical SMILES for (4E,8E,12E)-5,9,13,17-tetramethyl-1-piperazin-1-yloctadeca-4,8,12,16-tetraen-1-one is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(=O)N1CCNCC1.
What is the InChIKey of (4E,8E,12E)-5,9,13,17-tetramethyl-1-piperazin-1-yloctadeca-4,8,12,16-tetraen-1-one?
The InChIKey is DKSIUYSOIHDPDV-JZQMSYLWSA-N. The full InChI is InChI=1S/C26H44N2O/c1-22(2)10-6-11-23(3)12-7-13-24(4)14-8-15-25(5)16-9-17-26(29)28-20-18-27-19-21-28/h10,12,14,16,27H,6-9,11,13,15,17-21H2,1-5H3/b23-12+,24-14+,25-16+.
What are the key properties of (4E,8E,12E)-5,9,13,17-tetramethyl-1-piperazin-1-yloctadeca-4,8,12,16-tetraen-1-one?
(4E,8E,12E)-5,9,13,17-tetramethyl-1-piperazin-1-yloctadeca-4,8,12,16-tetraen-1-one has a molecular weight of 400.65 g/mol, XLogP of 6.34, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E,12E)-5,9,13,17-tetramethyl-1-piperazin-1-yloctadeca-4,8,12,16-tetraen-1-one is sourced from PubChem (CID 13306521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).