1-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidin-2-one

C25H41NO — CID 134720140

IUPAC1-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidin-2-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CN1CCCCC1=O
InChIInChI=1S/C25H41NO/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)18-20-26-19-7-6-17-25(26)27/h11,13,15,18H,6-10,12,14,16-17,19-20H2,1-5H3/b22-13+,23-15-,24-18+
InChIKeyAZXQGUBARWMYAD-RTEFFSRBSA-N
MW371.61 g/mol
LogP7.14
Rot. Bonds11

About 1-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidin-2-one

1-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidin-2-one (PubChem CID 134720140) has the molecular formula C25H41NO and a molecular weight of 371.61 g/mol. Its IUPAC name is 1-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidin-2-one
PubChem CID134720140
Molecular FormulaC25H41NO
Molecular Weight371.61 g/mol
Exact Mass371.32
IUPAC Name1-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidin-2-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CN1CCCCC1=O
InChIInChI=1S/C25H41NO/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)18-20-26-19-7-6-17-25(26)27/h11,13,15,18H,6-10,12,14,16-17,19-20H2,1-5H3/b22-13+,23-15-,24-18+
InChIKeyAZXQGUBARWMYAD-RTEFFSRBSA-N
XLogP7.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.61
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidin-2-one?
The IUPAC name of 1-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidin-2-one (CID 134720140) is 1-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidin-2-one.
What is the SMILES notation for 1-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidin-2-one?
The canonical SMILES for 1-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidin-2-one is CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CN1CCCCC1=O.
What is the InChIKey of 1-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidin-2-one?
The InChIKey is AZXQGUBARWMYAD-RTEFFSRBSA-N. The full InChI is InChI=1S/C25H41NO/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)18-20-26-19-7-6-17-25(26)27/h11,13,15,18H,6-10,12,14,16-17,19-20H2,1-5H3/b22-13+,23-15-,24-18+.
What are the key properties of 1-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidin-2-one?
1-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidin-2-one has a molecular weight of 371.61 g/mol, XLogP of 7.14, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperidin-2-one is sourced from PubChem (CID 134720140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).