methyl 4-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxylate

C19H19FN2O4S — CID 166292257

IUPACmethyl 4-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(CC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cs1
InChIInChI=1S/C19H19FN2O4S/c1-26-19(25)16-10-13(12-27-16)11-17(23)21-6-8-22(9-7-21)18(24)14-2-4-15(20)5-3-14/h2-5,10,12H,6-9,11H2,1H3
InChIKeyJRNOKLNQYQEGFW-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.20
Rot. Bonds4

About methyl 4-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxylate

methyl 4-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxylate (PubChem CID 166292257) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is methyl 4-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxylate
PubChem CID166292257
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC Namemethyl 4-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(CC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cs1
InChIInChI=1S/C19H19FN2O4S/c1-26-19(25)16-10-13(12-27-16)11-17(23)21-6-8-22(9-7-21)18(24)14-2-4-15(20)5-3-14/h2-5,10,12H,6-9,11H2,1H3
InChIKeyJRNOKLNQYQEGFW-UHFFFAOYSA-N
XLogP2.20
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxylate (CID 166292257) is methyl 4-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxylate is COC(=O)c1cc(CC(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cs1.
What is the InChIKey of methyl 4-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxylate?
The InChIKey is JRNOKLNQYQEGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c1-26-19(25)16-10-13(12-27-16)11-17(23)21-6-8-22(9-7-21)18(24)14-2-4-15(20)5-3-14/h2-5,10,12H,6-9,11H2,1H3.
What are the key properties of methyl 4-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxylate?
methyl 4-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxylate is sourced from PubChem (CID 166292257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).