1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-nitrophenyl)propan-1-one

C19H20FN3O3 — CID 2944230

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-nitrophenyl)propan-1-one
SMILESCC(C(=O)N1CCN(c2ccccc2F)CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H20FN3O3/c1-14(15-6-8-16(9-7-15)23(25)26)19(24)22-12-10-21(11-13-22)18-5-3-2-4-17(18)20/h2-9,14H,10-13H2,1H3
InChIKeyGRWOTKXRSCDEGH-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.19
Rot. Bonds4

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-nitrophenyl)propan-1-one

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-nitrophenyl)propan-1-one (PubChem CID 2944230) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-nitrophenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-nitrophenyl)propan-1-one
PubChem CID2944230
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-nitrophenyl)propan-1-one
SMILESCC(C(=O)N1CCN(c2ccccc2F)CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H20FN3O3/c1-14(15-6-8-16(9-7-15)23(25)26)19(24)22-12-10-21(11-13-22)18-5-3-2-4-17(18)20/h2-9,14H,10-13H2,1H3
InChIKeyGRWOTKXRSCDEGH-UHFFFAOYSA-N
XLogP3.19
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-Bis(4-nitrobenzoyl)piperazine
CID 3092238
1-(4-Nitrophenyl)-4-[(4-nitrophenyl)acetyl]piperazine
CID 2837966
1-[4-(4-Fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 710849
1-[4-(4-Nitrophenyl)piperazin-1-yl]-2-phenylethanone
CID 2837888
1-[4-(4-Benzoyl-piperazin-1-yl)-3-fluoro-phenyl]-butan-1-one
CID 613152
N-methyl-N-(2-{1-[(3-nitrophenyl)methyl]piperidin-4-yl}ethyl)benzamide hydrochloride
CID 14553632
3,4-dihydro-2H-quinolin-1-yl-(3-methyl-4-nitrophenyl)methanone
CID 692238
(4-Benzylpiperazin-1-yl)(3-methyl-4-nitrophenyl)methanone
CID 777811
2-(4-Fluorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 797923
1-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone
CID 1344401
2-(4-Fluorophenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 2914629
Ethyl 4-[2-(4-nitrophenyl)propanoyl]-1-piperazinecarboxylate
CID 2944448

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-nitrophenyl)propan-1-one?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-nitrophenyl)propan-1-one (CID 2944230) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-nitrophenyl)propan-1-one.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-nitrophenyl)propan-1-one?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-nitrophenyl)propan-1-one is CC(C(=O)N1CCN(c2ccccc2F)CC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-nitrophenyl)propan-1-one?
The InChIKey is GRWOTKXRSCDEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-14(15-6-8-16(9-7-15)23(25)26)19(24)22-12-10-21(11-13-22)18-5-3-2-4-17(18)20/h2-9,14H,10-13H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-nitrophenyl)propan-1-one?
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-nitrophenyl)propan-1-one has a molecular weight of 357.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-nitrophenyl)propan-1-one is sourced from PubChem (CID 2944230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).