N-(1-ethylpiperidin-3-yl)-3,7,11-trimethyldodeca-2,6,10-trienamide

C22H38N2O — CID 54568203

IUPACN-(1-ethylpiperidin-3-yl)-3,7,11-trimethyldodeca-2,6,10-trienamide
SMILESCCN1CCCC(NC(=O)C=C(C)CCC=C(C)CCC=C(C)C)C1
InChIInChI=1S/C22H38N2O/c1-6-24-15-9-14-21(17-24)23-22(25)16-20(5)13-8-12-19(4)11-7-10-18(2)3/h10,12,16,21H,6-9,11,13-15,17H2,1-5H3,(H,23,25)
InChIKeyZVISRJBTNGUUMQ-UHFFFAOYSA-N
MW346.56 g/mol
LogP5.01
Rot. Bonds9

About N-(1-ethylpiperidin-3-yl)-3,7,11-trimethyldodeca-2,6,10-trienamide

N-(1-ethylpiperidin-3-yl)-3,7,11-trimethyldodeca-2,6,10-trienamide (PubChem CID 54568203) has the molecular formula C22H38N2O and a molecular weight of 346.56 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-3,7,11-trimethyldodeca-2,6,10-trienamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-3,7,11-trimethyldodeca-2,6,10-trienamide
PubChem CID54568203
Molecular FormulaC22H38N2O
Molecular Weight346.56 g/mol
Exact Mass346.30
IUPAC NameN-(1-ethylpiperidin-3-yl)-3,7,11-trimethyldodeca-2,6,10-trienamide
SMILESCCN1CCCC(NC(=O)C=C(C)CCC=C(C)CCC=C(C)C)C1
InChIInChI=1S/C22H38N2O/c1-6-24-15-9-14-21(17-24)23-22(25)16-20(5)13-8-12-19(4)11-7-10-18(2)3/h10,12,16,21H,6-9,11,13-15,17H2,1-5H3,(H,23,25)
InChIKeyZVISRJBTNGUUMQ-UHFFFAOYSA-N
XLogP5.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 55.01
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'}

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Related Compounds

4-(dimethylamino)butyl-dimethyl-[3-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoyl]amino]propyl]azanium
CID 166627509
(2E)-N-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-3,7-dimethylocta-2,6-dienamide
CID 60168612
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 51970034
N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide
CID 71896948
2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pent-2-enamide
CID 72052087
N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylpent-2-enamide
CID 72154971
(E)-N-(1-acetylpiperidin-4-yl)-2-methylpent-2-enamide
CID 94151524
N-[1-[[1-[(1S)-cyclohex-2-en-1-yl]-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-4-yl]acetamide
CID 95124833
(E)-2-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pent-2-enamide
CID 97540193
(E)-N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylpent-2-enamide
CID 133576086
1-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-methylpent-2-en-1-one
CID 164632195
N-[1-acetyl-6-(trifluoromethyl)piperidin-3-yl]-2-cyclohexylideneacetamide
CID 128985927

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-3,7,11-trimethyldodeca-2,6,10-trienamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-3,7,11-trimethyldodeca-2,6,10-trienamide (CID 54568203) is N-(1-ethylpiperidin-3-yl)-3,7,11-trimethyldodeca-2,6,10-trienamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-3,7,11-trimethyldodeca-2,6,10-trienamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-3,7,11-trimethyldodeca-2,6,10-trienamide is CCN1CCCC(NC(=O)C=C(C)CCC=C(C)CCC=C(C)C)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-3,7,11-trimethyldodeca-2,6,10-trienamide?
The InChIKey is ZVISRJBTNGUUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O/c1-6-24-15-9-14-21(17-24)23-22(25)16-20(5)13-8-12-19(4)11-7-10-18(2)3/h10,12,16,21H,6-9,11,13-15,17H2,1-5H3,(H,23,25).
What are the key properties of N-(1-ethylpiperidin-3-yl)-3,7,11-trimethyldodeca-2,6,10-trienamide?
N-(1-ethylpiperidin-3-yl)-3,7,11-trimethyldodeca-2,6,10-trienamide has a molecular weight of 346.56 g/mol, XLogP of 5.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-3,7,11-trimethyldodeca-2,6,10-trienamide is sourced from PubChem (CID 54568203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).