2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

C21H26FN3O4 — CID 78877327

IUPAC2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CCN(C(=O)COc3ccc(F)cc3)CC2)o1
InChIInChI=1S/C21H26FN3O4/c1-16-3-6-19(29-16)13-23(2)20(26)14-24-9-11-25(12-10-24)21(27)15-28-18-7-4-17(22)5-8-18/h3-8H,9-15H2,1-2H3
InChIKeyNZLAFIDQXWVXOT-UHFFFAOYSA-N
MW403.45 g/mol
LogP1.91
Rot. Bonds7

About 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 78877327) has the molecular formula C21H26FN3O4 and a molecular weight of 403.45 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID78877327
Molecular FormulaC21H26FN3O4
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC Name2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)CN2CCN(C(=O)COc3ccc(F)cc3)CC2)o1
InChIInChI=1S/C21H26FN3O4/c1-16-3-6-19(29-16)13-23(2)20(26)14-24-9-11-25(12-10-24)21(27)15-28-18-7-4-17(22)5-8-18/h3-8H,9-15H2,1-2H3
InChIKeyNZLAFIDQXWVXOT-UHFFFAOYSA-N
XLogP1.91
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide with MolForge

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Related Compounds

2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78877474
2-(4-fluorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78784494
N-cyclopropyl-N-ethyl-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 78877418
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 27128819
1-(4-fluorophenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 110358975
methyl 5-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 78877473
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 134055397
2-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021981
2-(4-fluorophenoxy)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
CID 110932543
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 36853144
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 8692545
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 78877327) is 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CN(C)C(=O)CN2CCN(C(=O)COc3ccc(F)cc3)CC2)o1.
What is the InChIKey of 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is NZLAFIDQXWVXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O4/c1-16-3-6-19(29-16)13-23(2)20(26)14-24-9-11-25(12-10-24)21(27)15-28-18-7-4-17(22)5-8-18/h3-8H,9-15H2,1-2H3.
What are the key properties of 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 403.45 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 78877327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).