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

C25H44N2O — CID 21298075

IUPAC(6E,10E)-3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-6,10,14-trien-1-one
SMILESCC(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CC(=O)N1CCN(CC1)C
InChIInChI=1S/C25H44N2O/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/h10,12,14,24H,7-9,11,13,15-20H2,1-6H3/b22-12+,23-14+
InChIKeyADZKVVWWRUYRAL-DGYUODJOSA-N
MW388.60 g/mol
LogP6.50
Rot. Bonds11

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

(6E,10E)-3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-6,10,14-trien-1-one (PubChem CID 21298075) has the molecular formula C25H44N2O and a molecular weight of 388.60 g/mol. Its IUPAC name is (6E,10E)-3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-6,10,14-trien-1-one.

Molecular Properties

Compound Name(6E,10E)-3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-6,10,14-trien-1-one
PubChem CID21298075
Molecular FormulaC25H44N2O
Molecular Weight388.60 g/mol
Exact Mass388.35
IUPAC Name(6E,10E)-3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-6,10,14-trien-1-one
SMILESCC(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CC(=O)N1CCN(CC1)C
InChIInChI=1S/C25H44N2O/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/h10,12,14,24H,7-9,11,13,15-20H2,1-6H3/b22-12+,23-14+
InChIKeyADZKVVWWRUYRAL-DGYUODJOSA-N
XLogP6.50
TPSA23.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity547

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.60
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

[4-(Cyclohex-3-enecarbonyl)-piperazin-1-yl]-cyclohex-3-enyl-methanone
CID 3133172
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CID 603430
N'-Methylpiperazinyl geranylgeranyl acetamide
CID 6442976
1-Cyclohex-3-enylmethyl-piperidine-4-carboxylic acid diethylamide
CID 645987
1-[4-(Cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 3145138
1-[4-(Cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 3150593
Cambridge id 6578844
CID 2903559
N-[[(1S,4S,6S)-4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide
CID 38026924
N-oleoyl-N'-methylpiper azine
CID 16726156
N-oleoyl-4-methylpiperidin
CID 70607554
2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 39969447
1-(3-Cyclohexen-1-ylcarbonyl)-4-methylpiperazine
CID 3052997

Frequently Asked Questions

What is the IUPAC name of (6E,10E)-3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-6,10,14-trien-1-one?
The IUPAC name of (6E,10E)-3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-6,10,14-trien-1-one (CID 21298075) is (6E,10E)-3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-6,10,14-trien-1-one.
What is the SMILES notation for (6E,10E)-3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-6,10,14-trien-1-one?
The canonical SMILES for (6E,10E)-3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-6,10,14-trien-1-one is CC(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CC(=O)N1CCN(CC1)C.
What is the InChIKey of (6E,10E)-3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-6,10,14-trien-1-one?
The InChIKey is ADZKVVWWRUYRAL-DGYUODJOSA-N. The full InChI is InChI=1S/C25H44N2O/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/h10,12,14,24H,7-9,11,13,15-20H2,1-6H3/b22-12+,23-14+.
What are the key properties of (6E,10E)-3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-6,10,14-trien-1-one?
(6E,10E)-3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-6,10,14-trien-1-one has a molecular weight of 388.60 g/mol, XLogP of 6.50, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-6,10,14-trien-1-one is sourced from PubChem (CID 21298075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).