N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide

C27H48N2O — CID 54348362

IUPACN-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
SMILESCCN1CCCC(NC(=O)CC(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C1
InChIInChI=1S/C27H48N2O/c1-7-29-19-11-18-26(21-29)28-27(30)20-25(6)17-10-16-24(5)15-9-14-23(4)13-8-12-22(2)3/h12,14,16,25-26H,7-11,13,15,17-21H2,1-6H3,(H,28,30)
InChIKeyUDXAHUGTMVZMBC-UHFFFAOYSA-N
MW416.69 g/mol
LogP6.81
Rot. Bonds13

About N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide

N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide (PubChem CID 54348362) has the molecular formula C27H48N2O and a molecular weight of 416.69 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
PubChem CID54348362
Molecular FormulaC27H48N2O
Molecular Weight416.69 g/mol
Exact Mass416.38
IUPAC NameN-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide
SMILESCCN1CCCC(NC(=O)CC(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C1
InChIInChI=1S/C27H48N2O/c1-7-29-19-11-18-26(21-29)28-27(30)20-25(6)17-10-16-24(5)15-9-14-23(4)13-8-12-22(2)3/h12,14,16,25-26H,7-11,13,15,17-21H2,1-6H3,(H,28,30)
InChIKeyUDXAHUGTMVZMBC-UHFFFAOYSA-N
XLogP6.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.69
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1'-(2,6-dimethylhept-5-en-1-yl)-N-isopropyl-1,4'-bipiperidine-4-carboxamide
CID 16191206
2-[(1S,4S,5S)-4-(acetamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 38027444
1-Methyl-4-[(3E)-4-methylhex-3-EN-1-YL]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 70711626
4-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-1-methyl-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72877473
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((1-isopropylpiperidin-4-yl)methyl)oxalamide
CID 16886602
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-[[(1S,4S,6S)-4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]cyclopropanecarboxamide
CID 38026946
N-cyclopropyl-3-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-4-yl]propanamide
CID 42564928
N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-2-(cyclohexen-1-yl)acetamide
CID 122136654
2-[(1R)-cyclopent-2-en-1-yl]-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 125520738
N-[1-[[(E)-6-(2-fluoroethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide
CID 21032193
N-[(2R)-1-[4-(4-fluorocyclohexa-1,3-dien-1-yl)-3,3-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-3-methylbutanamide
CID 58458028

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide (CID 54348362) is N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide is CCN1CCCC(NC(=O)CC(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide?
The InChIKey is UDXAHUGTMVZMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N2O/c1-7-29-19-11-18-26(21-29)28-27(30)20-25(6)17-10-16-24(5)15-9-14-23(4)13-8-12-22(2)3/h12,14,16,25-26H,7-11,13,15,17-21H2,1-6H3,(H,28,30).
What are the key properties of N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide?
N-(1-ethylpiperidin-3-yl)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide has a molecular weight of 416.69 g/mol, XLogP of 6.81, 13 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)-3,7,11,15-tetramethylhexadeca-6,10,14-trienamide is sourced from PubChem (CID 54348362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).