(2E,6E,10E)-3,7,11,15-tetramethyl-1-piperazin-1-ylhexadeca-2,6,10,14-tetraen-1-one

C24H40N2O — CID 70430197

IUPAC(2E,6E,10E)-3,7,11,15-tetramethyl-1-piperazin-1-ylhexadeca-2,6,10,14-tetraen-1-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)N1CCNCC1
InChIInChI=1S/C24H40N2O/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)19-24(27)26-17-15-25-16-18-26/h9,11,13,19,25H,6-8,10,12,14-18H2,1-5H3/b21-11+,22-13+,23-19+
InChIKeyKINUUIXYNGNALP-CFXQGEQXSA-N
MW372.60 g/mol
LogP5.56
Rot. Bonds10

About (2E,6E,10E)-3,7,11,15-tetramethyl-1-piperazin-1-ylhexadeca-2,6,10,14-tetraen-1-one

(2E,6E,10E)-3,7,11,15-tetramethyl-1-piperazin-1-ylhexadeca-2,6,10,14-tetraen-1-one (PubChem CID 70430197) has the molecular formula C24H40N2O and a molecular weight of 372.60 g/mol. Its IUPAC name is (2E,6E,10E)-3,7,11,15-tetramethyl-1-piperazin-1-ylhexadeca-2,6,10,14-tetraen-1-one.

Molecular Properties

Compound Name(2E,6E,10E)-3,7,11,15-tetramethyl-1-piperazin-1-ylhexadeca-2,6,10,14-tetraen-1-one
PubChem CID70430197
Molecular FormulaC24H40N2O
Molecular Weight372.60 g/mol
Exact Mass372.31
IUPAC Name(2E,6E,10E)-3,7,11,15-tetramethyl-1-piperazin-1-ylhexadeca-2,6,10,14-tetraen-1-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)N1CCNCC1
InChIInChI=1S/C24H40N2O/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)19-24(27)26-17-15-25-16-18-26/h9,11,13,19,25H,6-8,10,12,14-18H2,1-5H3/b21-11+,22-13+,23-19+
InChIKeyKINUUIXYNGNALP-CFXQGEQXSA-N
XLogP5.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.60
LogP ≤ 55.56
H-Bond Donors ≤ 51
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 (2E,6E,10E)-3,7,11,15-tetramethyl-1-piperazin-1-ylhexadeca-2,6,10,14-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

3,7,11-trimethyl-1-morpholin-4-yldodeca-2,6,10-trien-1-one
CID 6320518
(2E,6E,10E,14E)-1-(3-hydroxypiperidin-1-yl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one
CID 70401551
1-[(2Z)-3,7-dimethylocta-2,6-dienyl]piperazine
CID 70588103
5,9,13,17-tetramethyl-1-(2-methylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one
CID 70471801
1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,4-diazepane
CID 44514516
(2E,6E,10E,14E)-1-[2-(hydroxymethyl)piperidin-1-yl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-one
CID 70408204
(2E,6E,10E)-1-[3-(diethylamino)piperidin-1-yl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-one
CID 21297965
1-(1,4-diazepan-1-yl)-3-methylbut-2-en-1-one
CID 28881262
3,7,11-trimethyldodeca-2,6,10-trienoyl chloride
CID 57199796
(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
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E)-3,7,11,15-tetramethyl-1-piperazin-1-ylhexadeca-2,6,10,14-tetraen-1-one?
The IUPAC name of (2E,6E,10E)-3,7,11,15-tetramethyl-1-piperazin-1-ylhexadeca-2,6,10,14-tetraen-1-one (CID 70430197) is (2E,6E,10E)-3,7,11,15-tetramethyl-1-piperazin-1-ylhexadeca-2,6,10,14-tetraen-1-one.
What is the SMILES notation for (2E,6E,10E)-3,7,11,15-tetramethyl-1-piperazin-1-ylhexadeca-2,6,10,14-tetraen-1-one?
The canonical SMILES for (2E,6E,10E)-3,7,11,15-tetramethyl-1-piperazin-1-ylhexadeca-2,6,10,14-tetraen-1-one is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)N1CCNCC1.
What is the InChIKey of (2E,6E,10E)-3,7,11,15-tetramethyl-1-piperazin-1-ylhexadeca-2,6,10,14-tetraen-1-one?
The InChIKey is KINUUIXYNGNALP-CFXQGEQXSA-N. The full InChI is InChI=1S/C24H40N2O/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)19-24(27)26-17-15-25-16-18-26/h9,11,13,19,25H,6-8,10,12,14-18H2,1-5H3/b21-11+,22-13+,23-19+.
What are the key properties of (2E,6E,10E)-3,7,11,15-tetramethyl-1-piperazin-1-ylhexadeca-2,6,10,14-tetraen-1-one?
(2E,6E,10E)-3,7,11,15-tetramethyl-1-piperazin-1-ylhexadeca-2,6,10,14-tetraen-1-one has a molecular weight of 372.60 g/mol, XLogP of 5.56, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-3,7,11,15-tetramethyl-1-piperazin-1-ylhexadeca-2,6,10,14-tetraen-1-one is sourced from PubChem (CID 70430197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).