8-[4-(3-fluorophenyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide

C18H26FN3O3 — CID 10126038

IUPAC8-[4-(3-fluorophenyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide
SMILESO=C(CCCCCCC(=O)N1CCN(c2cccc(F)c2)CC1)NO
InChIInChI=1S/C18H26FN3O3/c19-15-6-5-7-16(14-15)21-10-12-22(13-11-21)18(24)9-4-2-1-3-8-17(23)20-25/h5-7,14,25H,1-4,8-13H2,(H,20,23)
InChIKeyHKTHHZHPFRVBOC-UHFFFAOYSA-N
MW351.42 g/mol
LogP2.32
Rot. Bonds8

About 8-[4-(3-fluorophenyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide

8-[4-(3-fluorophenyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide (PubChem CID 10126038) has the molecular formula C18H26FN3O3 and a molecular weight of 351.42 g/mol. Its IUPAC name is 8-[4-(3-fluorophenyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide.

Molecular Properties

Compound Name8-[4-(3-fluorophenyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide
PubChem CID10126038
Molecular FormulaC18H26FN3O3
Molecular Weight351.42 g/mol
Exact Mass351.20
IUPAC Name8-[4-(3-fluorophenyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide
SMILESO=C(CCCCCCC(=O)N1CCN(c2cccc(F)c2)CC1)NO
InChIInChI=1S/C18H26FN3O3/c19-15-6-5-7-16(14-15)21-10-12-22(13-11-21)18(24)9-4-2-1-3-8-17(23)20-25/h5-7,14,25H,1-4,8-13H2,(H,20,23)
InChIKeyHKTHHZHPFRVBOC-UHFFFAOYSA-N
XLogP2.32
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-[4-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 43822500
N-hydroxy-8-[4-(4-nitrophenyl)piperazin-1-yl]-8-oxooctanamide
CID 10215842
1-[4-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 110869101
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one
CID 79016503
N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N'-propan-2-yloxamide
CID 113097711
N-hydroxy-8-oxo-8-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]octanamide
CID 162697665
5-hydroxy-1-[4-(3-methylphenyl)piperazin-1-yl]pentan-1-one
CID 79199880
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
N-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide
CID 7329126
N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-4-phenylbutanamide
CID 113097698

Frequently Asked Questions

What is the IUPAC name of 8-[4-(3-fluorophenyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide?
The IUPAC name of 8-[4-(3-fluorophenyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide (CID 10126038) is 8-[4-(3-fluorophenyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide.
What is the SMILES notation for 8-[4-(3-fluorophenyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide?
The canonical SMILES for 8-[4-(3-fluorophenyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide is O=C(CCCCCCC(=O)N1CCN(c2cccc(F)c2)CC1)NO.
What is the InChIKey of 8-[4-(3-fluorophenyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide?
The InChIKey is HKTHHZHPFRVBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3/c19-15-6-5-7-16(14-15)21-10-12-22(13-11-21)18(24)9-4-2-1-3-8-17(23)20-25/h5-7,14,25H,1-4,8-13H2,(H,20,23).
What are the key properties of 8-[4-(3-fluorophenyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide?
8-[4-(3-fluorophenyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide has a molecular weight of 351.42 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3-fluorophenyl)piperazin-1-yl]-N-hydroxy-8-oxooctanamide is sourced from PubChem (CID 10126038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).