1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine-2,5-dione

C34H54N2O2 — CID 101193636

IUPAC1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine-2,5-dione
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CC(=O)N(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC1=O
InChIInChI=1S/C34H54N2O2/c1-27(2)13-9-15-29(5)17-11-19-31(7)21-23-35-25-34(38)36(26-33(35)37)24-22-32(8)20-12-18-30(6)16-10-14-28(3)4/h13-14,17-18,21-22H,9-12,15-16,19-20,23-26H2,1-8H3/b29-17+,30-18+,31-21+,32-22+
InChIKeyXPMUGLJXFBTAHK-LUMYANRPSA-N
MW522.82 g/mol
LogP8.50
Rot. Bonds16

About 1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine-2,5-dione

1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine-2,5-dione (PubChem CID 101193636) has the molecular formula C34H54N2O2 and a molecular weight of 522.82 g/mol. Its IUPAC name is 1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine-2,5-dione
PubChem CID101193636
Molecular FormulaC34H54N2O2
Molecular Weight522.82 g/mol
Exact Mass522.42
IUPAC Name1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine-2,5-dione
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CC(=O)N(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC1=O
InChIInChI=1S/C34H54N2O2/c1-27(2)13-9-15-29(5)17-11-19-31(7)21-23-35-25-34(38)36(26-33(35)37)24-22-32(8)20-12-18-30(6)16-10-14-28(3)4/h13-14,17-18,21-22H,9-12,15-16,19-20,23-26H2,1-8H3/b29-17+,30-18+,31-21+,32-22+
InChIKeyXPMUGLJXFBTAHK-LUMYANRPSA-N
XLogP8.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.82
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

N'-Methylpiperazinyl geranylgeranyl acetamide
CID 6442976
Piperazine, 1-(4-methyl-1-piperazinylacetyl)-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446869
N'-Geranylpiperazinyl farnesyl acetamide
CID 6442975
5,9,13,17-Tetramethyl-1-(4-methylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one
CID 185014
(2E,6E)-3,7,11-trimethyl-1-(4-methylpiperazin-1-yl)dodeca-2,6,10-trien-1-one
CID 10471161
(4E,8E,12E)-1-(4-butylpiperazin-1-yl)-5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-one
CID 13518420
(2E,6E,10E)-3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one
CID 14129834
(2E,6E,10E)-1-(4-ethylpiperazin-1-yl)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-one
CID 21297936
(2E,6E,10E)-3,7,11,15-tetramethyl-1-(4-propylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one
CID 21298037
(4E,8E,12E)-1-(4-ethylpiperazin-1-yl)-5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraen-1-one
CID 24842180
(4E,8E,12E)-5,9,13,17-tetramethyl-1-[4-(3-methylbut-2-enyl)piperazin-1-yl]octadeca-4,8,12,16-tetraen-1-one
CID 24842198
(4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-propylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one
CID 24842286

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine-2,5-dione?
The IUPAC name of 1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine-2,5-dione (CID 101193636) is 1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine-2,5-dione.
What is the SMILES notation for 1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine-2,5-dione?
The canonical SMILES for 1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine-2,5-dione is CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CC(=O)N(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC1=O.
What is the InChIKey of 1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine-2,5-dione?
The InChIKey is XPMUGLJXFBTAHK-LUMYANRPSA-N. The full InChI is InChI=1S/C34H54N2O2/c1-27(2)13-9-15-29(5)17-11-19-31(7)21-23-35-25-34(38)36(26-33(35)37)24-22-32(8)20-12-18-30(6)16-10-14-28(3)4/h13-14,17-18,21-22H,9-12,15-16,19-20,23-26H2,1-8H3/b29-17+,30-18+,31-21+,32-22+.
What are the key properties of 1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine-2,5-dione?
1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine-2,5-dione has a molecular weight of 522.82 g/mol, XLogP of 8.50, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine-2,5-dione is sourced from PubChem (CID 101193636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).