4-(4-fluorophenyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochloride

C20H22Cl2FN3O3 — CID 23328989

IUPAC4-(4-fluorophenyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochloride
SMILESCl.Cl.O=c1oc(CCN2CCN(c3ccccn3)CC2)c(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H20FN3O3.2ClH/c21-16-6-4-15(5-7-16)19-17(26-20(25)27-19)8-10-23-11-13-24(14-12-23)18-3-1-2-9-22-18;;/h1-7,9H,8,10-14H2;2*1H
InChIKeyWSQOEZRINLHAOB-UHFFFAOYSA-N
MW442.32 g/mol
LogP3.64
Rot. Bonds5

About 4-(4-fluorophenyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochloride

4-(4-fluorophenyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochloride (PubChem CID 23328989) has the molecular formula C20H22Cl2FN3O3 and a molecular weight of 442.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochloride.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochloride
PubChem CID23328989
Molecular FormulaC20H22Cl2FN3O3
Molecular Weight442.32 g/mol
Exact Mass441.10
IUPAC Name4-(4-fluorophenyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochloride
SMILESCl.Cl.O=c1oc(CCN2CCN(c3ccccn3)CC2)c(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H20FN3O3.2ClH/c21-16-6-4-15(5-7-16)19-17(26-20(25)27-19)8-10-23-11-13-24(14-12-23)18-3-1-2-9-22-18;;/h1-7,9H,8,10-14H2;2*1H
InChIKeyWSQOEZRINLHAOB-UHFFFAOYSA-N
XLogP3.64
TPSA62.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-fluorophenyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-[4-(3,5-dichlorophenyl)piperazin-1-yl]ethyl]-5-(4-fluorophenyl)-1,3-dioxol-2-one;hydrochloride
CID 3055012
5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one
CID 53180479
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-pyridin-2-ylpiperazine;dihydrochloride
CID 18348689
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
[5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51193185
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
4-methyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 14839505
1,3-bis(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110544647
(NE)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butylidene]hydroxylamine
CID 11849818
5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
CID 90469348

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochloride?
The IUPAC name of 4-(4-fluorophenyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochloride (CID 23328989) is 4-(4-fluorophenyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochloride.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochloride?
The canonical SMILES for 4-(4-fluorophenyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochloride is Cl.Cl.O=c1oc(CCN2CCN(c3ccccn3)CC2)c(-c2ccc(F)cc2)o1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochloride?
The InChIKey is WSQOEZRINLHAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3.2ClH/c21-16-6-4-15(5-7-16)19-17(26-20(25)27-19)8-10-23-11-13-24(14-12-23)18-3-1-2-9-22-18;;/h1-7,9H,8,10-14H2;2*1H.
What are the key properties of 4-(4-fluorophenyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochloride?
4-(4-fluorophenyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochloride has a molecular weight of 442.32 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochloride is sourced from PubChem (CID 23328989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).