4-[2-(4-fluorophenoxy)propanoyl]-3-methylpiperazin-2-one

C14H17FN2O3 — CID 63373720

IUPAC4-[2-(4-fluorophenoxy)propanoyl]-3-methylpiperazin-2-one
SMILESCC(Oc1ccc(F)cc1)C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C14H17FN2O3/c1-9-13(18)16-7-8-17(9)14(19)10(2)20-12-5-3-11(15)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,16,18)
InChIKeyFFJVXQVXVQKHOI-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.94
Rot. Bonds3

About 4-[2-(4-fluorophenoxy)propanoyl]-3-methylpiperazin-2-one

4-[2-(4-fluorophenoxy)propanoyl]-3-methylpiperazin-2-one (PubChem CID 63373720) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-[2-(4-fluorophenoxy)propanoyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-fluorophenoxy)propanoyl]-3-methylpiperazin-2-one
PubChem CID63373720
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-[2-(4-fluorophenoxy)propanoyl]-3-methylpiperazin-2-one
SMILESCC(Oc1ccc(F)cc1)C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C14H17FN2O3/c1-9-13(18)16-7-8-17(9)14(19)10(2)20-12-5-3-11(15)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,16,18)
InChIKeyFFJVXQVXVQKHOI-UHFFFAOYSA-N
XLogP0.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenoxy)propanoyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[2-(4-fluorophenoxy)propanoyl]-3-methylpiperazin-2-one (CID 63373720) is 4-[2-(4-fluorophenoxy)propanoyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(4-fluorophenoxy)propanoyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(4-fluorophenoxy)propanoyl]-3-methylpiperazin-2-one is CC(Oc1ccc(F)cc1)C(=O)N1CCNC(=O)C1C.
What is the InChIKey of 4-[2-(4-fluorophenoxy)propanoyl]-3-methylpiperazin-2-one?
The InChIKey is FFJVXQVXVQKHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-9-13(18)16-7-8-17(9)14(19)10(2)20-12-5-3-11(15)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,16,18).
What are the key properties of 4-[2-(4-fluorophenoxy)propanoyl]-3-methylpiperazin-2-one?
4-[2-(4-fluorophenoxy)propanoyl]-3-methylpiperazin-2-one has a molecular weight of 280.30 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenoxy)propanoyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 63373720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).