[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-fluorobenzoate

C18H17FN2O5 — CID 2431297

IUPAC[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-fluorobenzoate
SMILESO=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccc(F)c1
InChIInChI=1S/C18H17FN2O5/c19-14-4-1-3-13(11-14)18(24)26-12-16(22)20-6-8-21(9-7-20)17(23)15-5-2-10-25-15/h1-5,10-11H,6-9,12H2
InChIKeyVQKCNFJBWQFYJZ-UHFFFAOYSA-N
MW360.34 g/mol
LogP1.56
Rot. Bonds4

About [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-fluorobenzoate

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-fluorobenzoate (PubChem CID 2431297) has the molecular formula C18H17FN2O5 and a molecular weight of 360.34 g/mol. Its IUPAC name is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-fluorobenzoate.

Molecular Properties

Compound Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-fluorobenzoate
PubChem CID2431297
Molecular FormulaC18H17FN2O5
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-fluorobenzoate
SMILESO=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccc(F)c1
InChIInChI=1S/C18H17FN2O5/c19-14-4-1-3-13(11-14)18(24)26-12-16(22)20-6-8-21(9-7-20)17(23)15-5-2-10-25-15/h1-5,10-11H,6-9,12H2
InChIKeyVQKCNFJBWQFYJZ-UHFFFAOYSA-N
XLogP1.56
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

A 317920
CID 10389213
Befuraline
CID 68664
N-benzylfuran-2-carboxamide
CID 347531
1-[4-(2-Furoyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 750519
Phenyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 3758798
2-Benzofuranyl-4-morpholinylmethanone
CID 3819793
2-fluoro-N-(2-furylmethyl)benzamide
CID 784948
N-[(4-fluorophenyl)methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]furan-2-carboxamide
CID 2965322
N-{2-[(2-furylmethyl)(isopropyl)amino]ethyl}-1-oxo-4-phenyl-1H-isochromene-3-carboxamide
CID 16193996
1-Furan-2-ylmethyl-4-(3-methoxy-benzyl)-piperazine
CID 24762012
Furan-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148134
[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2335760

Frequently Asked Questions

What is the IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-fluorobenzoate?
The IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-fluorobenzoate (CID 2431297) is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-fluorobenzoate.
What is the SMILES notation for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-fluorobenzoate?
The canonical SMILES for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-fluorobenzoate is O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccc(F)c1.
What is the InChIKey of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-fluorobenzoate?
The InChIKey is VQKCNFJBWQFYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O5/c19-14-4-1-3-13(11-14)18(24)26-12-16(22)20-6-8-21(9-7-20)17(23)15-5-2-10-25-15/h1-5,10-11H,6-9,12H2.
What are the key properties of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-fluorobenzoate?
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-fluorobenzoate has a molecular weight of 360.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-fluorobenzoate is sourced from PubChem (CID 2431297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).