methyl 4-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]benzoate

C21H23FN2O3 — CID 26382410

IUPACmethyl 4-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1
InChIInChI=1S/C21H23FN2O3/c1-15(25)18-7-8-20(19(22)13-18)24-11-9-23(10-12-24)14-16-3-5-17(6-4-16)21(26)27-2/h3-8,13H,9-12,14H2,1-2H3
InChIKeyLFQBIRVBGRKNGM-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.14
Rot. Bonds5

About methyl 4-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]benzoate

methyl 4-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]benzoate (PubChem CID 26382410) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is methyl 4-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]benzoate
PubChem CID26382410
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Namemethyl 4-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1
InChIInChI=1S/C21H23FN2O3/c1-15(25)18-7-8-20(19(22)13-18)24-11-9-23(10-12-24)14-16-3-5-17(6-4-16)21(26)27-2/h3-8,13H,9-12,14H2,1-2H3
InChIKeyLFQBIRVBGRKNGM-UHFFFAOYSA-N
XLogP3.14
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]benzoate with MolForge

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Related Compounds

1-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]ethanone
CID 51244446
methyl 4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]benzoate
CID 8690662
1-[4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]ethanone
CID 18131468
methyl 4-(azocan-1-ylmethyl)benzoate
CID 28829596
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 26382499
5-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 30823751
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 34915411
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 26383070
methyl 4-(4-benzylpiperazin-1-yl)-5-fluoro-2-methoxybenzoate
CID 23024318
1-[3-fluoro-4-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 86912160
methyl 4-(thiomorpholin-4-ylmethyl)benzoate
CID 10106210
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]benzoate (CID 26382410) is methyl 4-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]benzoate is COC(=O)c1ccc(CN2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1.
What is the InChIKey of methyl 4-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]benzoate?
The InChIKey is LFQBIRVBGRKNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-15(25)18-7-8-20(19(22)13-18)24-11-9-23(10-12-24)14-16-3-5-17(6-4-16)21(26)27-2/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of methyl 4-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]benzoate?
methyl 4-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]benzoate has a molecular weight of 370.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]benzoate is sourced from PubChem (CID 26382410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).