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

C19H22FN3O2 — CID 109004460

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone
SMILESCOc1ccc(NCC(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C19H22FN3O2/c1-25-16-8-6-15(7-9-16)21-14-19(24)23-12-10-22(11-13-23)18-5-3-2-4-17(18)20/h2-9,21H,10-14H2,1H3
InChIKeyHRBLFNPAHSHPDT-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.60
Rot. Bonds5

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

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone (PubChem CID 109004460) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone
PubChem CID109004460
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone
SMILESCOc1ccc(NCC(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C19H22FN3O2/c1-25-16-8-6-15(7-9-16)21-14-19(24)23-12-10-22(11-13-23)18-5-3-2-4-17(18)20/h2-9,21H,10-14H2,1H3
InChIKeyHRBLFNPAHSHPDT-UHFFFAOYSA-N
XLogP2.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]benzoate
CID 109004477
2-(4-ethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004436
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(4-methoxyphenyl)acetamide
CID 7328598
2-(3,5-dimethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004433
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)butan-1-one
CID 110297247
2-(3-chloro-4-fluoroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004455
2-(3,5-dichloroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004494
4-[2-(4-methoxyanilino)acetyl]piperazine-1-carbaldehyde
CID 108995990
2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826557
2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 71116229
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(trifluoromethyl)anilino]ethanone
CID 51183110
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2,3,4-trifluoroanilino)ethanone
CID 109004504

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone (CID 109004460) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone is COc1ccc(NCC(=O)N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone?
The InChIKey is HRBLFNPAHSHPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-25-16-8-6-15(7-9-16)21-14-19(24)23-12-10-22(11-13-23)18-5-3-2-4-17(18)20/h2-9,21H,10-14H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone?
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone has a molecular weight of 343.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 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-methoxyanilino)ethanone is sourced from PubChem (CID 109004460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).