2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(2-oxopropoxy)pyran-4-one

C19H21FN2O4 — CID 7178509

IUPAC2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(2-oxopropoxy)pyran-4-one
SMILESCC(=O)COc1coc(CN2CCN(c3ccc(F)cc3)CC2)cc1=O
InChIInChI=1S/C19H21FN2O4/c1-14(23)12-26-19-13-25-17(10-18(19)24)11-21-6-8-22(9-7-21)16-4-2-15(20)3-5-16/h2-5,10,13H,6-9,11-12H2,1H3
InChIKeyMYODPLNTANWAGL-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.07
Rot. Bonds6

About 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(2-oxopropoxy)pyran-4-one

2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(2-oxopropoxy)pyran-4-one (PubChem CID 7178509) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(2-oxopropoxy)pyran-4-one.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(2-oxopropoxy)pyran-4-one
PubChem CID7178509
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(2-oxopropoxy)pyran-4-one
SMILESCC(=O)COc1coc(CN2CCN(c3ccc(F)cc3)CC2)cc1=O
InChIInChI=1S/C19H21FN2O4/c1-14(23)12-26-19-13-25-17(10-18(19)24)11-21-6-8-22(9-7-21)16-4-2-15(20)3-5-16/h2-5,10,13H,6-9,11-12H2,1H3
InChIKeyMYODPLNTANWAGL-UHFFFAOYSA-N
XLogP2.07
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(2-oxopropoxy)pyran-4-one?
The IUPAC name of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(2-oxopropoxy)pyran-4-one (CID 7178509) is 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(2-oxopropoxy)pyran-4-one.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(2-oxopropoxy)pyran-4-one?
The canonical SMILES for 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(2-oxopropoxy)pyran-4-one is CC(=O)COc1coc(CN2CCN(c3ccc(F)cc3)CC2)cc1=O.
What is the InChIKey of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(2-oxopropoxy)pyran-4-one?
The InChIKey is MYODPLNTANWAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-14(23)12-26-19-13-25-17(10-18(19)24)11-21-6-8-22(9-7-21)16-4-2-15(20)3-5-16/h2-5,10,13H,6-9,11-12H2,1H3.
What are the key properties of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(2-oxopropoxy)pyran-4-one?
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(2-oxopropoxy)pyran-4-one has a molecular weight of 360.39 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(2-oxopropoxy)pyran-4-one is sourced from PubChem (CID 7178509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).