1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone

C20H21FN2O4 — CID 1358804

IUPAC1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C20H21FN2O4/c1-26-17-5-7-18(8-6-17)27-14-19(24)22-9-11-23(12-10-22)20(25)15-3-2-4-16(21)13-15/h2-8,13H,9-12,14H2,1H3
InChIKeyQZXPJAOPGDMCQS-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.20
Rot. Bonds5

About 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone

1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone (PubChem CID 1358804) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
PubChem CID1358804
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C20H21FN2O4/c1-26-17-5-7-18(8-6-17)27-14-19(24)22-9-11-23(12-10-22)20(25)15-3-2-4-16(21)13-15/h2-8,13H,9-12,14H2,1H3
InChIKeyQZXPJAOPGDMCQS-UHFFFAOYSA-N
XLogP2.20
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
The IUPAC name of 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone (CID 1358804) is 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
The canonical SMILES for 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone is COc1ccc(OCC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
The InChIKey is QZXPJAOPGDMCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-26-17-5-7-18(8-6-17)27-14-19(24)22-9-11-23(12-10-22)20(25)15-3-2-4-16(21)13-15/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone?
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone has a molecular weight of 372.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone is sourced from PubChem (CID 1358804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).