3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one

C25H42N2O — CID 54383127

IUPAC3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC(=O)N1CCN(C)CC1
InChIInChI=1S/C25H42N2O/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-15-24(5)20-25(28)27-18-16-26(6)17-19-27/h10,12,14,20H,7-9,11,13,15-19H2,1-6H3
InChIKeyVBIPPEYBNMYJDD-UHFFFAOYSA-N
MW386.62 g/mol
LogP5.91
Rot. Bonds10

About 3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one

3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one (PubChem CID 54383127) has the molecular formula C25H42N2O and a molecular weight of 386.62 g/mol. Its IUPAC name is 3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one.

Molecular Properties

Compound Name3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one
PubChem CID54383127
Molecular FormulaC25H42N2O
Molecular Weight386.62 g/mol
Exact Mass386.33
IUPAC Name3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC(=O)N1CCN(C)CC1
InChIInChI=1S/C25H42N2O/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-15-24(5)20-25(28)27-18-16-26(6)17-19-27/h10,12,14,20H,7-9,11,13,15-19H2,1-6H3
InChIKeyVBIPPEYBNMYJDD-UHFFFAOYSA-N
XLogP5.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one with MolForge

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Related Compounds

N'-Methylpiperazinyl geranylgeranyl acetamide
CID 6442976
(2E)-N-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-3,7-dimethylocta-2,6-dienamide
CID 60168612
Piperazine, 1-formyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6445848
Piperazine, 1-(4-methyl-1-piperazinylacetyl)-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446869
N-diethyl geranylamine
CID 101641847
a-Geranylpiperidine
CID 129763847
N'-Geranylpiperazinyl farnesyl acetamide
CID 6442975
1,4-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine-2,5-dione
CID 101193636
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)-N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
CID 14129826

Frequently Asked Questions

What is the IUPAC name of 3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one?
The IUPAC name of 3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one (CID 54383127) is 3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one.
What is the SMILES notation for 3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one?
The canonical SMILES for 3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one is CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC(=O)N1CCN(C)CC1.
What is the InChIKey of 3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one?
The InChIKey is VBIPPEYBNMYJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2O/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-15-24(5)20-25(28)27-18-16-26(6)17-19-27/h10,12,14,20H,7-9,11,13,15-19H2,1-6H3.
What are the key properties of 3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one?
3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one has a molecular weight of 386.62 g/mol, XLogP of 5.91, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-2,6,10,14-tetraen-1-one is sourced from PubChem (CID 54383127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).