N-(4-fluorophenyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide

C24H24FN3O4 — CID 18575725

IUPACN-(4-fluorophenyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide
SMILESO=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H24FN3O4/c25-18-6-8-19(9-7-18)26-24(30)17-32-23-16-31-21(14-22(23)29)15-27-10-12-28(13-11-27)20-4-2-1-3-5-20/h1-9,14,16H,10-13,15,17H2,(H,26,30)
InChIKeyFWVXMKYTVCIZAM-UHFFFAOYSA-N
MW437.47 g/mol
LogP3.12
Rot. Bonds7

About N-(4-fluorophenyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide

N-(4-fluorophenyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide (PubChem CID 18575725) has the molecular formula C24H24FN3O4 and a molecular weight of 437.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide
PubChem CID18575725
Molecular FormulaC24H24FN3O4
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC NameN-(4-fluorophenyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide
SMILESO=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)Nc1ccc(F)cc1
InChIInChI=1S/C24H24FN3O4/c25-18-6-8-19(9-7-18)26-24(30)17-32-23-16-31-21(14-22(23)29)15-27-10-12-28(13-11-27)20-4-2-1-3-5-20/h1-9,14,16H,10-13,15,17H2,(H,26,30)
InChIKeyFWVXMKYTVCIZAM-UHFFFAOYSA-N
XLogP3.12
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide (CID 18575725) is N-(4-fluorophenyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide is O=C(COc1coc(CN2CCN(c3ccccc3)CC2)cc1=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide?
The InChIKey is FWVXMKYTVCIZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O4/c25-18-6-8-19(9-7-18)26-24(30)17-32-23-16-31-21(14-22(23)29)15-27-10-12-28(13-11-27)20-4-2-1-3-5-20/h1-9,14,16H,10-13,15,17H2,(H,26,30).
What are the key properties of N-(4-fluorophenyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide?
N-(4-fluorophenyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide has a molecular weight of 437.47 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide is sourced from PubChem (CID 18575725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).