ethyl 2-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate

C20H21FN2O3 — CID 113080739

IUPACethyl 2-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate
SMILESCCOC(=O)c1ccccc1N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H21FN2O3/c1-2-26-20(25)17-8-3-4-9-18(17)22-10-12-23(13-11-22)19(24)15-6-5-7-16(21)14-15/h3-9,14H,2,10-13H2,1H3
InChIKeyWIDNVWGYEDWFKS-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.96
Rot. Bonds4

About ethyl 2-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate

ethyl 2-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate (PubChem CID 113080739) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is ethyl 2-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 2-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate
PubChem CID113080739
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Nameethyl 2-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate
SMILESCCOC(=O)c1ccccc1N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C20H21FN2O3/c1-2-26-20(25)17-8-3-4-9-18(17)22-10-12-23(13-11-22)19(24)15-6-5-7-16(21)14-15/h3-9,14H,2,10-13H2,1H3
InChIKeyWIDNVWGYEDWFKS-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-(4-fluorobenzoyl)piperazin-1-yl]benzoate
CID 113080740
ethyl 2-[4-(3-methoxybenzoyl)piperazin-1-yl]benzoate
CID 113080742
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 752975
ethyl 4-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate
CID 113079816
2-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083234
ethyl 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate
CID 113080733
[4-(5-amino-2-methylphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 96693276
methyl 2-(4-benzoylpiperazin-1-yl)benzoate
CID 113078358
ethyl 2-[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113111246
[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 110802331
ethyl 4-(3-fluorophenyl)-1-[[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 4040943
5-amino-N,N-diethyl-2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]benzamide
CID 42671655

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate?
The IUPAC name of ethyl 2-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate (CID 113080739) is ethyl 2-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate.
What is the SMILES notation for ethyl 2-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate?
The canonical SMILES for ethyl 2-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate is CCOC(=O)c1ccccc1N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of ethyl 2-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate?
The InChIKey is WIDNVWGYEDWFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-2-26-20(25)17-8-3-4-9-18(17)22-10-12-23(13-11-22)19(24)15-6-5-7-16(21)14-15/h3-9,14H,2,10-13H2,1H3.
What are the key properties of ethyl 2-[4-(3-fluorobenzoyl)piperazin-1-yl]benzoate?
ethyl 2-[4-(3-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-(3-fluorobenzoyl)piperazin-1-yl]benzoate is sourced from PubChem (CID 113080739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).