(4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-propan-2-ylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one

C29H50N2O — CID 24842201

IUPAC(4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-propan-2-ylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C29H50N2O/c1-24(2)12-8-13-26(5)14-9-15-27(6)16-10-17-28(7)18-11-19-29(32)31-22-20-30(21-23-31)25(3)4/h12,14,16,18,25H,8-11,13,15,17,19-23H2,1-7H3/b26-14+,27-16+,28-18+
InChIKeyUMSQNYFVMOZZAG-RWGYFCLOSA-N
MW442.73 g/mol
LogP7.46
Rot. Bonds13

About (4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-propan-2-ylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one

(4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-propan-2-ylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one (PubChem CID 24842201) has the molecular formula C29H50N2O and a molecular weight of 442.73 g/mol. Its IUPAC name is (4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-propan-2-ylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one.

Molecular Properties

Compound Name(4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-propan-2-ylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one
PubChem CID24842201
Molecular FormulaC29H50N2O
Molecular Weight442.73 g/mol
Exact Mass442.39
IUPAC Name(4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-propan-2-ylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C29H50N2O/c1-24(2)12-8-13-26(5)14-9-15-27(6)16-10-17-28(7)18-11-19-29(32)31-22-20-30(21-23-31)25(3)4/h12,14,16,18,25H,8-11,13,15,17,19-23H2,1-7H3/b26-14+,27-16+,28-18+
InChIKeyUMSQNYFVMOZZAG-RWGYFCLOSA-N
XLogP7.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.73
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-propan-2-ylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,9,13,17-tetramethyl-1-[4-(3-methylbutyl)piperazin-1-yl]octadeca-4,8,12,16-tetraen-1-one
CID 70472954
4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
CID 58450079
3-amino-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 2756459
(2E,6E,10E)-3,7,11,15-tetramethyl-1-piperazin-1-ylhexadeca-2,6,10,14-tetraen-1-one
CID 70430197
3,7,11-trimethyl-N-(1-morpholin-4-ylethyl)dodeca-2,6,10-trienamide
CID 70401956
4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564498
5,9,13,17-tetramethyl-1-(2-methylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one
CID 70471801
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 145315809
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986

Frequently Asked Questions

What is the IUPAC name of (4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-propan-2-ylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one?
The IUPAC name of (4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-propan-2-ylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one (CID 24842201) is (4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-propan-2-ylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one.
What is the SMILES notation for (4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-propan-2-ylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one?
The canonical SMILES for (4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-propan-2-ylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCC(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of (4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-propan-2-ylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one?
The InChIKey is UMSQNYFVMOZZAG-RWGYFCLOSA-N. The full InChI is InChI=1S/C29H50N2O/c1-24(2)12-8-13-26(5)14-9-15-27(6)16-10-17-28(7)18-11-19-29(32)31-22-20-30(21-23-31)25(3)4/h12,14,16,18,25H,8-11,13,15,17,19-23H2,1-7H3/b26-14+,27-16+,28-18+.
What are the key properties of (4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-propan-2-ylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one?
(4E,8E,12E)-5,9,13,17-tetramethyl-1-(4-propan-2-ylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one has a molecular weight of 442.73 g/mol, XLogP of 7.46, 13 rotatable bonds, 0 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-(4-propan-2-ylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one is sourced from PubChem (CID 24842201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).