N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide

C18H28FN3O — CID 110444095

IUPACN-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide
SMILESCCN1CCN(CCCCCNC(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H28FN3O/c1-2-21-12-14-22(15-13-21)11-7-3-6-10-20-18(23)16-8-4-5-9-17(16)19/h4-5,8-9H,2-3,6-7,10-15H2,1H3,(H,20,23)
InChIKeyXJWJMNJFYFELHX-UHFFFAOYSA-N
MW321.44 g/mol
LogP2.36
Rot. Bonds8

About N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide

N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide (PubChem CID 110444095) has the molecular formula C18H28FN3O and a molecular weight of 321.44 g/mol. Its IUPAC name is N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide
PubChem CID110444095
Molecular FormulaC18H28FN3O
Molecular Weight321.44 g/mol
Exact Mass321.22
IUPAC NameN-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide
SMILESCCN1CCN(CCCCCNC(=O)c2ccccc2F)CC1
InChIInChI=1S/C18H28FN3O/c1-2-21-12-14-22(15-13-21)11-7-3-6-10-20-18(23)16-8-4-5-9-17(16)19/h4-5,8-9H,2-3,6-7,10-15H2,1H3,(H,20,23)
InChIKeyXJWJMNJFYFELHX-UHFFFAOYSA-N
XLogP2.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 39306024
2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide
CID 111488179
2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 3455522
2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 47029242
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide
CID 86823053
N-[2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]ethyl]-2-fluorobenzamide
CID 120848299
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 60553495
2-[(4-chlorophenyl)methoxy]-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 55660052
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
2-fluoro-N-(5-methylsulfanylpentyl)benzamide
CID 104920148
2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
CID 47074532

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide?
The IUPAC name of N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide (CID 110444095) is N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide?
The canonical SMILES for N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide is CCN1CCN(CCCCCNC(=O)c2ccccc2F)CC1.
What is the InChIKey of N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide?
The InChIKey is XJWJMNJFYFELHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O/c1-2-21-12-14-22(15-13-21)11-7-3-6-10-20-18(23)16-8-4-5-9-17(16)19/h4-5,8-9H,2-3,6-7,10-15H2,1H3,(H,20,23).
What are the key properties of N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide?
N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide has a molecular weight of 321.44 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide is sourced from PubChem (CID 110444095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).