N,N-diethyl-4-methyl-4-tetradecylpiperazin-4-ium-1-carboxamide

C24H50N3O+ — CID 3030329

IUPACN,N-diethyl-4-methyl-4-tetradecylpiperazin-4-ium-1-carboxamide
SMILESCCCCCCCCCCCCCC[N+]1(C)CCN(C(=O)N(CC)CC)CC1
InChIInChI=1S/C24H50N3O/c1-5-8-9-10-11-12-13-14-15-16-17-18-21-27(4)22-19-26(20-23-27)24(28)25(6-2)7-3/h5-23H2,1-4H3/q+1
InChIKeyFQMCCFAWACWMLG-UHFFFAOYSA-N
MW396.68 g/mol
LogP5.91
Rot. Bonds15

About N,N-diethyl-4-methyl-4-tetradecylpiperazin-4-ium-1-carboxamide

N,N-diethyl-4-methyl-4-tetradecylpiperazin-4-ium-1-carboxamide (PubChem CID 3030329) has the molecular formula C24H50N3O+ and a molecular weight of 396.68 g/mol. Its IUPAC name is N,N-diethyl-4-methyl-4-tetradecylpiperazin-4-ium-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-methyl-4-tetradecylpiperazin-4-ium-1-carboxamide
PubChem CID3030329
Molecular FormulaC24H50N3O+
Molecular Weight396.68 g/mol
Exact Mass396.39
IUPAC NameN,N-diethyl-4-methyl-4-tetradecylpiperazin-4-ium-1-carboxamide
SMILESCCCCCCCCCCCCCC[N+]1(C)CCN(C(=O)N(CC)CC)CC1
InChIInChI=1S/C24H50N3O/c1-5-8-9-10-11-12-13-14-15-16-17-18-21-27(4)22-19-26(20-23-27)24(28)25(6-2)7-3/h5-23H2,1-4H3/q+1
InChIKeyFQMCCFAWACWMLG-UHFFFAOYSA-N
XLogP5.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.68
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-methyl-4-nonylpiperazin-4-ium-1-carboxylate iodide
CID 3066335
ethyl 4-methyl-4-tetradecylpiperazin-4-ium-1-carboxylate bromide
CID 24842338
1-dodecyl-1,4-dimethylpiperazin-1-ium
CID 68979496
1,4-dimethyl-1-tetracosylpiperazin-1-ium
CID 68978139
1,4-dimethyl-1,4-di(tetradecyl)piperazine-1,4-diium
CID 101485350
4-butyl-1-hexyl-1-methylpiperazin-1-ium
CID 171634022
1-heptyl-1-methylpyrrolidin-1-ium acetate
CID 171569618
1-(4-methyl-4-pent-4-enylpiperazin-4-ium-1-yl)hexadecan-1-one bromide
CID 24945818
1-methyl-1-nonylpyrrolidin-1-ium
CID 66835403
1-(4-ethyl-4-methylpiperazin-4-ium-1-yl)octan-1-one iodide
CID 24945734
N,N-diethyl-4-[2-(2-oxo-3-tetradecylimidazolidin-1-yl)ethyl]piperazine-1-carboxamide
CID 3033979
1-icosyl-1,4,4,7,7-pentamethyl-1,4,7-triazonane-1,4,7-triium
CID 134450987

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methyl-4-tetradecylpiperazin-4-ium-1-carboxamide?
The IUPAC name of N,N-diethyl-4-methyl-4-tetradecylpiperazin-4-ium-1-carboxamide (CID 3030329) is N,N-diethyl-4-methyl-4-tetradecylpiperazin-4-ium-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-methyl-4-tetradecylpiperazin-4-ium-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-methyl-4-tetradecylpiperazin-4-ium-1-carboxamide is CCCCCCCCCCCCCC[N+]1(C)CCN(C(=O)N(CC)CC)CC1.
What is the InChIKey of N,N-diethyl-4-methyl-4-tetradecylpiperazin-4-ium-1-carboxamide?
The InChIKey is FQMCCFAWACWMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N3O/c1-5-8-9-10-11-12-13-14-15-16-17-18-21-27(4)22-19-26(20-23-27)24(28)25(6-2)7-3/h5-23H2,1-4H3/q+1.
What are the key properties of N,N-diethyl-4-methyl-4-tetradecylpiperazin-4-ium-1-carboxamide?
N,N-diethyl-4-methyl-4-tetradecylpiperazin-4-ium-1-carboxamide has a molecular weight of 396.68 g/mol, XLogP of 5.91, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methyl-4-tetradecylpiperazin-4-ium-1-carboxamide is sourced from PubChem (CID 3030329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).