1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone

C19H20FN3O2 — CID 119754874

IUPAC1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESNc1cccc(C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)c1
InChIInChI=1S/C19H20FN3O2/c20-17-7-2-1-4-14(17)13-18(24)22-8-10-23(11-9-22)19(25)15-5-3-6-16(21)12-15/h1-7,12H,8-11,13,21H2
InChIKeyZKZHNTHOZUQXAP-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.93
Rot. Bonds3

About 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone

1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone (PubChem CID 119754874) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
PubChem CID119754874
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESNc1cccc(C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)c1
InChIInChI=1S/C19H20FN3O2/c20-17-7-2-1-4-14(17)13-18(24)22-8-10-23(11-9-22)19(25)15-5-3-6-16(21)12-15/h1-7,12H,8-11,13,21H2
InChIKeyZKZHNTHOZUQXAP-UHFFFAOYSA-N
XLogP1.93
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone;hydrochloride
CID 119754548
[3-[4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108926851
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110804269
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 55586596
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119686678
(3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43501278
(3-aminophenyl)-(4-benzylpiperazin-1-yl)methanone;dihydrochloride
CID 119826758
1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113075631
1-[4-(3-aminopropyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 43251243
(3-aminophenyl)-thiomorpholin-4-ylmethanone
CID 28786527

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone (CID 119754874) is 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone is Nc1cccc(C(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)c1.
What is the InChIKey of 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone?
The InChIKey is ZKZHNTHOZUQXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-17-7-2-1-4-14(17)13-18(24)22-8-10-23(11-9-22)19(25)15-5-3-6-16(21)12-15/h1-7,12H,8-11,13,21H2.
What are the key properties of 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone?
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone has a molecular weight of 341.39 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 119754874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).