ethyl 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoate

C24H30F2N2O3 — CID 3046270

IUPACethyl 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H30F2N2O3/c1-2-30-23(29)11-12-27-13-15-28(16-14-27)17-18-31-24(19-3-7-21(25)8-4-19)20-5-9-22(26)10-6-20/h3-10,24H,2,11-18H2,1H3
InChIKeyFODTVNSRDGZPEK-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.64
Rot. Bonds10

About ethyl 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoate

ethyl 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoate (PubChem CID 3046270) has the molecular formula C24H30F2N2O3 and a molecular weight of 432.51 g/mol. Its IUPAC name is ethyl 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoate
PubChem CID3046270
Molecular FormulaC24H30F2N2O3
Molecular Weight432.51 g/mol
Exact Mass432.22
IUPAC Nameethyl 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoate
SMILESCCOC(=O)CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H30F2N2O3/c1-2-30-23(29)11-12-27-13-15-28(16-14-27)17-18-31-24(19-3-7-21(25)8-4-19)20-5-9-22(26)10-6-20/h3-10,24H,2,11-18H2,1H3
InChIKeyFODTVNSRDGZPEK-UHFFFAOYSA-N
XLogP3.64
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoate?
The IUPAC name of ethyl 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoate (CID 3046270) is ethyl 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoate?
The canonical SMILES for ethyl 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoate is CCOC(=O)CCN1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoate?
The InChIKey is FODTVNSRDGZPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N2O3/c1-2-30-23(29)11-12-27-13-15-28(16-14-27)17-18-31-24(19-3-7-21(25)8-4-19)20-5-9-22(26)10-6-20/h3-10,24H,2,11-18H2,1H3.
What are the key properties of ethyl 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoate?
ethyl 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoate has a molecular weight of 432.51 g/mol, XLogP of 3.64, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoate is sourced from PubChem (CID 3046270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).