N-ethyl-N-(3-fluoro-4-piperazin-1-ylphenyl)hexanamide

C18H28FN3O — CID 91610900

IUPACN-ethyl-N-(3-fluoro-4-piperazin-1-ylphenyl)hexanamide
SMILESCCCCCC(=O)N(CC)c1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C18H28FN3O/c1-3-5-6-7-18(23)22(4-2)15-8-9-17(16(19)14-15)21-12-10-20-11-13-21/h8-9,14,20H,3-7,10-13H2,1-2H3
InChIKeyDXSYMMCDBMWXKB-UHFFFAOYSA-N
MW321.44 g/mol
LogP3.17
Rot. Bonds7

About N-ethyl-N-(3-fluoro-4-piperazin-1-ylphenyl)hexanamide

N-ethyl-N-(3-fluoro-4-piperazin-1-ylphenyl)hexanamide (PubChem CID 91610900) has the molecular formula C18H28FN3O and a molecular weight of 321.44 g/mol. Its IUPAC name is N-ethyl-N-(3-fluoro-4-piperazin-1-ylphenyl)hexanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-fluoro-4-piperazin-1-ylphenyl)hexanamide
PubChem CID91610900
Molecular FormulaC18H28FN3O
Molecular Weight321.44 g/mol
Exact Mass321.22
IUPAC NameN-ethyl-N-(3-fluoro-4-piperazin-1-ylphenyl)hexanamide
SMILESCCCCCC(=O)N(CC)c1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C18H28FN3O/c1-3-5-6-7-18(23)22(4-2)15-8-9-17(16(19)14-15)21-12-10-20-11-13-21/h8-9,14,20H,3-7,10-13H2,1-2H3
InChIKeyDXSYMMCDBMWXKB-UHFFFAOYSA-N
XLogP3.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(3-fluoro-4-methylphenyl)butanamide
CID 142224327
N-ethyl-3-fluoro-4-piperazin-1-ylaniline
CID 70934986
N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide
CID 20785639
N-ethyl-N-(3-hydroxyphenyl)heptanamide
CID 107736474
N-ethyl-N-phenyloctadecanamide
CID 151424183
N-[4-(aminomethyl)phenyl]-N-ethylhexanamide
CID 43275627
N-(3-aminophenyl)-N-ethyldecanamide
CID 65448348
1-(5-ethyl-2-fluoro-4-methylphenyl)piperazine
CID 155722191
1-(4-chloro-2-fluorophenyl)piperazine
CID 2783123
4-(3-fluoro-4-piperazin-1-ylphenyl)-1,4-thiazinane 1-oxide
CID 135346960
1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one
CID 3309376
1-(2-fluoro-4-methylsulfinylphenyl)piperazine
CID 135346718

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-fluoro-4-piperazin-1-ylphenyl)hexanamide?
The IUPAC name of N-ethyl-N-(3-fluoro-4-piperazin-1-ylphenyl)hexanamide (CID 91610900) is N-ethyl-N-(3-fluoro-4-piperazin-1-ylphenyl)hexanamide.
What is the SMILES notation for N-ethyl-N-(3-fluoro-4-piperazin-1-ylphenyl)hexanamide?
The canonical SMILES for N-ethyl-N-(3-fluoro-4-piperazin-1-ylphenyl)hexanamide is CCCCCC(=O)N(CC)c1ccc(N2CCNCC2)c(F)c1.
What is the InChIKey of N-ethyl-N-(3-fluoro-4-piperazin-1-ylphenyl)hexanamide?
The InChIKey is DXSYMMCDBMWXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O/c1-3-5-6-7-18(23)22(4-2)15-8-9-17(16(19)14-15)21-12-10-20-11-13-21/h8-9,14,20H,3-7,10-13H2,1-2H3.
What are the key properties of N-ethyl-N-(3-fluoro-4-piperazin-1-ylphenyl)hexanamide?
N-ethyl-N-(3-fluoro-4-piperazin-1-ylphenyl)hexanamide has a molecular weight of 321.44 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-fluoro-4-piperazin-1-ylphenyl)hexanamide is sourced from PubChem (CID 91610900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).