1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one

C20H21FN2O4 — CID 108534702

IUPAC1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
SMILESCC(Oc1ccc(O)cc1)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H21FN2O4/c1-14(27-18-7-5-17(24)6-8-18)19(25)22-9-11-23(12-10-22)20(26)15-3-2-4-16(21)13-15/h2-8,13-14,24H,9-12H2,1H3
InChIKeyRPHUKVKUXWCDGQ-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.28
Rot. Bonds4

About 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one

1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one (PubChem CID 108534702) 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-hydroxyphenoxy)propan-1-one.

Molecular Properties

Compound Name1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
PubChem CID108534702
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
SMILESCC(Oc1ccc(O)cc1)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H21FN2O4/c1-14(27-18-7-5-17(24)6-8-18)19(25)22-9-11-23(12-10-22)20(26)15-3-2-4-16(21)13-15/h2-8,13-14,24H,9-12H2,1H3
InChIKeyRPHUKVKUXWCDGQ-UHFFFAOYSA-N
XLogP2.28
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[1-[2-(4-hydroxyphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108557466
2-(4-chlorophenoxy)-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]propan-1-one
CID 108535959
1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one
CID 86926716
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534667
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534102
1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one
CID 86925844
2-(4-hydroxyphenoxy)-1-[4-[2-(4-hydroxyphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 108545473
1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(4-fluorophenoxy)propan-1-one
CID 167920139
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108544168
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
1-(4-benzoylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 18112386
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108533738

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one?
The IUPAC name of 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one (CID 108534702) is 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one.
What is the SMILES notation for 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one?
The canonical SMILES for 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one is CC(Oc1ccc(O)cc1)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one?
The InChIKey is RPHUKVKUXWCDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-14(27-18-7-5-17(24)6-8-18)19(25)22-9-11-23(12-10-22)20(26)15-3-2-4-16(21)13-15/h2-8,13-14,24H,9-12H2,1H3.
What are the key properties of 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one?
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one has a molecular weight of 372.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 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-hydroxyphenoxy)propan-1-one is sourced from PubChem (CID 108534702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).