ethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzoate

C20H21FN2O3 — CID 113080740

IUPACethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzoate
SMILESCCOC(=O)c1ccccc1N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN2O3/c1-2-26-20(25)17-5-3-4-6-18(17)22-11-13-23(14-12-22)19(24)15-7-9-16(21)10-8-15/h3-10H,2,11-14H2,1H3
InChIKeyIEZSVCOYPVEWIO-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.96
Rot. Bonds4

About ethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzoate

ethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzoate (PubChem CID 113080740) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is ethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzoate
PubChem CID113080740
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Nameethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzoate
SMILESCCOC(=O)c1ccccc1N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN2O3/c1-2-26-20(25)17-5-3-4-6-18(17)22-11-13-23(14-12-22)19(24)15-7-9-16(21)10-8-15/h3-10H,2,11-14H2,1H3
InChIKeyIEZSVCOYPVEWIO-UHFFFAOYSA-N
XLogP2.96
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate
CID 113080739
ethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate
CID 113080742
ethyl 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate
CID 113080733
methyl 2-(4-benzoylpiperazin-1-yl)benzoate
CID 113078358
[4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 66792715
ethyl 4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798379
(4-fluorophenyl)-[4-(2-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076086
2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083235
2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzonitrile
CID 113080805
ethyl 2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]benzoate
CID 113080764
ethyl 2-[4-[(2,4,6-trimethylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112479
ethyl 2-[4-(4-bromobenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133469644

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzoate?
The IUPAC name of ethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzoate (CID 113080740) is ethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzoate.
What is the SMILES notation for ethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzoate?
The canonical SMILES for ethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzoate is CCOC(=O)c1ccccc1N1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzoate?
The InChIKey is IEZSVCOYPVEWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-2-26-20(25)17-5-3-4-6-18(17)22-11-13-23(14-12-22)19(24)15-7-9-16(21)10-8-15/h3-10H,2,11-14H2,1H3.
What are the key properties of ethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzoate?
ethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzoate has a molecular weight of 356.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzoate is sourced from PubChem (CID 113080740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).