2-(3-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide

C21H24FN3O3 — CID 112996017

IUPAC2-(3-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCOc1ccc(N2CCN(C(=O)CNC(=O)Cc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C21H24FN3O3/c1-28-19-7-5-18(6-8-19)24-9-11-25(12-10-24)21(27)15-23-20(26)14-16-3-2-4-17(22)13-16/h2-8,13H,9-12,14-15H2,1H3,(H,23,26)
InChIKeyMUIOCWPJKZQFMT-UHFFFAOYSA-N
MW385.44 g/mol
LogP1.84
Rot. Bonds6

About 2-(3-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide

2-(3-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 112996017) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID112996017
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name2-(3-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCOc1ccc(N2CCN(C(=O)CNC(=O)Cc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C21H24FN3O3/c1-28-19-7-5-18(6-8-19)24-9-11-25(12-10-24)21(27)15-23-20(26)14-16-3-2-4-17(22)13-16/h2-8,13H,9-12,14-15H2,1H3,(H,23,26)
InChIKeyMUIOCWPJKZQFMT-UHFFFAOYSA-N
XLogP1.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 51.84
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

2-(3-fluorophenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112994419
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112996020
2-(3-fluorophenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372637
2-(4-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112994410
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991714
3-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9158911
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 2594758
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone
CID 108996776
2-(4-fluoro-2-methylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18096733
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790
(3S)-3-(3-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
CID 92709461

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 112996017) is 2-(3-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is COc1ccc(N2CCN(C(=O)CNC(=O)Cc3cccc(F)c3)CC2)cc1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is MUIOCWPJKZQFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-28-19-7-5-18(6-8-19)24-9-11-25(12-10-24)21(27)15-23-20(26)14-16-3-2-4-17(22)13-16/h2-8,13H,9-12,14-15H2,1H3,(H,23,26).
What are the key properties of 2-(3-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
2-(3-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 385.44 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 112996017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).