morpholine;1-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazin-1-yl]ethanone

C25H45N3O2 — CID 20981689

IUPACmorpholine;1-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazin-1-yl]ethanone
SMILESC1COCCN1.CC(=O)N1CCN(CC=C(C)CCC=C(C)CCC=C(C)C)CC1
InChIInChI=1S/C21H36N2O.C4H9NO/c1-18(2)8-6-9-19(3)10-7-11-20(4)12-13-22-14-16-23(17-15-22)21(5)24;1-3-6-4-2-5-1/h8,10,12H,6-7,9,11,13-17H2,1-5H3;5H,1-4H2
InChIKeyBSHDDUKIHYFMLD-UHFFFAOYSA-N
MW419.65 g/mol
LogP4.18
Rot. Bonds8

About morpholine;1-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazin-1-yl]ethanone

morpholine;1-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazin-1-yl]ethanone (PubChem CID 20981689) has the molecular formula C25H45N3O2 and a molecular weight of 419.65 g/mol. Its IUPAC name is morpholine;1-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Namemorpholine;1-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazin-1-yl]ethanone
PubChem CID20981689
Molecular FormulaC25H45N3O2
Molecular Weight419.65 g/mol
Exact Mass419.35
IUPAC Namemorpholine;1-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazin-1-yl]ethanone
SMILESC1COCCN1.CC(=O)N1CCN(CC=C(C)CCC=C(C)CCC=C(C)C)CC1
InChIInChI=1S/C21H36N2O.C4H9NO/c1-18(2)8-6-9-19(3)10-7-11-20(4)12-13-22-14-16-23(17-15-22)21(5)24;1-3-6-4-2-5-1/h8,10,12H,6-7,9,11,13-17H2,1-5H3;5H,1-4H2
InChIKeyBSHDDUKIHYFMLD-UHFFFAOYSA-N
XLogP4.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.65
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E)-3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide
CID 60168515
Piperazine, 1-(4-morpholinoacetyl)-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446870
N-[(1-{2-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl}-1,2,5,6-tetrahydropyridin-3-yl)methyl]acetamide
CID 50952420
N-(1-{[1-(2-ethoxyethyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}piperidin-3-yl)acetamide
CID 50961460
3,7,11-trimethyl-N-(2-morpholin-4-ylethyl)dodeca-2,6,10-trienamide
CID 54284487
3,7,11,15-tetramethyl-N-(2-morpholin-4-ylethyl)hexadeca-2,6,10,14-tetraenamide
CID 54345373
3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide
CID 72671758
(Z)-4-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)hex-4-en-1-amine
CID 134419180
N-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-morpholin-4-ylethyl]acetamide
CID 50982549
N-[(3S)-1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide
CID 95126106
N-[(3R)-1-[[1-(2-ethoxyethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]piperidin-3-yl]acetamide
CID 99953599

Frequently Asked Questions

What is the IUPAC name of morpholine;1-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazin-1-yl]ethanone?
The IUPAC name of morpholine;1-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazin-1-yl]ethanone (CID 20981689) is morpholine;1-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazin-1-yl]ethanone.
What is the SMILES notation for morpholine;1-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazin-1-yl]ethanone?
The canonical SMILES for morpholine;1-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazin-1-yl]ethanone is C1COCCN1.CC(=O)N1CCN(CC=C(C)CCC=C(C)CCC=C(C)C)CC1.
What is the InChIKey of morpholine;1-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazin-1-yl]ethanone?
The InChIKey is BSHDDUKIHYFMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O.C4H9NO/c1-18(2)8-6-9-19(3)10-7-11-20(4)12-13-22-14-16-23(17-15-22)21(5)24;1-3-6-4-2-5-1/h8,10,12H,6-7,9,11,13-17H2,1-5H3;5H,1-4H2.
What are the key properties of morpholine;1-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazin-1-yl]ethanone?
morpholine;1-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazin-1-yl]ethanone has a molecular weight of 419.65 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;1-[4-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 20981689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).