4-[2-(3-fluorophenoxy)acetyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one

C20H21FN2O4 — CID 70740927

IUPAC4-[2-(3-fluorophenoxy)acetyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
SMILESCOc1cccc(CN2CCN(C(=O)COc3cccc(F)c3)CC2=O)c1
InChIInChI=1S/C20H21FN2O4/c1-26-17-6-2-4-15(10-17)12-22-8-9-23(13-19(22)24)20(25)14-27-18-7-3-5-16(21)11-18/h2-7,10-11H,8-9,12-14H2,1H3
InChIKeyUANKFAFELQRQML-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.08
Rot. Bonds6

About 4-[2-(3-fluorophenoxy)acetyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one

4-[2-(3-fluorophenoxy)acetyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one (PubChem CID 70740927) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is 4-[2-(3-fluorophenoxy)acetyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(3-fluorophenoxy)acetyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
PubChem CID70740927
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name4-[2-(3-fluorophenoxy)acetyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
SMILESCOc1cccc(CN2CCN(C(=O)COc3cccc(F)c3)CC2=O)c1
InChIInChI=1S/C20H21FN2O4/c1-26-17-6-2-4-15(10-17)12-22-8-9-23(13-19(22)24)20(25)14-27-18-7-3-5-16(21)11-18/h2-7,10-11H,8-9,12-14H2,1H3
InChIKeyUANKFAFELQRQML-UHFFFAOYSA-N
XLogP2.08
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenoxy)acetyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[2-(3-fluorophenoxy)acetyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one (CID 70740927) is 4-[2-(3-fluorophenoxy)acetyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(3-fluorophenoxy)acetyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[2-(3-fluorophenoxy)acetyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one is COc1cccc(CN2CCN(C(=O)COc3cccc(F)c3)CC2=O)c1.
What is the InChIKey of 4-[2-(3-fluorophenoxy)acetyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
The InChIKey is UANKFAFELQRQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-26-17-6-2-4-15(10-17)12-22-8-9-23(13-19(22)24)20(25)14-27-18-7-3-5-16(21)11-18/h2-7,10-11H,8-9,12-14H2,1H3.
What are the key properties of 4-[2-(3-fluorophenoxy)acetyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one?
4-[2-(3-fluorophenoxy)acetyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one has a molecular weight of 372.40 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenoxy)acetyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 70740927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).