1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one

C20H29FN2O2 — CID 78848555

IUPAC1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one
SMILESCCCCCCCCC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H29FN2O2/c1-2-3-4-5-6-7-8-19(24)22-13-15-23(16-14-22)20(25)17-9-11-18(21)12-10-17/h9-12H,2-8,13-16H2,1H3
InChIKeyVLGGSBQVSWDBJA-UHFFFAOYSA-N
MW348.46 g/mol
LogP3.86
Rot. Bonds8

About 1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one

1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one (PubChem CID 78848555) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one
PubChem CID78848555
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one
SMILESCCCCCCCCC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H29FN2O2/c1-2-3-4-5-6-7-8-19(24)22-13-15-23(16-14-22)20(25)17-9-11-18(21)12-10-17/h9-12H,2-8,13-16H2,1H3
InChIKeyVLGGSBQVSWDBJA-UHFFFAOYSA-N
XLogP3.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
1-[4-(4-fluorobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]nonan-1-one
CID 42773806
1-[4-(furan-3-carbonyl)piperazin-1-yl]octan-1-one
CID 134022004
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 108533747
N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]butanamide
CID 87010279
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-[4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 87024437
1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one
CID 110799985
5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110400181
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364923

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one?
The IUPAC name of 1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one (CID 78848555) is 1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one.
What is the SMILES notation for 1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one?
The canonical SMILES for 1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one is CCCCCCCCC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one?
The InChIKey is VLGGSBQVSWDBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-2-3-4-5-6-7-8-19(24)22-13-15-23(16-14-22)20(25)17-9-11-18(21)12-10-17/h9-12H,2-8,13-16H2,1H3.
What are the key properties of 1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one?
1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one has a molecular weight of 348.46 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one is sourced from PubChem (CID 78848555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).