3-[2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride

C24H30Cl2FN3O2 — CID 14208358

About 3-[2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride

3-[2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride (PubChem CID 14208358) has the molecular formula C24H30Cl2FN3O2 and a molecular weight of 482.43 g/mol. Its IUPAC name is 3-[2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride.

Molecular Properties

• Compound Name: 3-[2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride
• PubChem CID: 14208358
• Molecular Formula: C24H30Cl2FN3O2
• Molecular Weight: 482.43 g/mol
• Exact Mass: 481.17
• IUPAC Name: 3-[2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride
• SMILES: Cl.Cl.O=C1OCCN1CCN1CCN(C2CC(c3ccc(F)cc3)c3ccccc32)CC1
• InChI: InChI=1S/C24H28FN3O2.2ClH/c25-19-7-5-18(6-8-19)22-17-23(21-4-2-1-3-20(21)22)27-12-9-26(10-13-27)11-14-28-15-16-30-24(28)29;;/h1-8,22-23H,9-17H2;2*1H
• InChIKey: RPMOXKBXUPKWAX-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 36.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.43
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride?

The IUPAC name of 3-[2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride (CID 14208358) is 3-[2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride.

What is the SMILES notation for 3-[2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride?

The canonical SMILES for 3-[2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride is Cl.Cl.O=C1OCCN1CCN1CCN(C2CC(c3ccc(F)cc3)c3ccccc32)CC1.

What is the InChIKey of 3-[2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride?

The InChIKey is RPMOXKBXUPKWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2.2ClH/c25-19-7-5-18(6-8-19)22-17-23(21-4-2-1-3-20(21)22)27-12-9-26(10-13-27)11-14-28-15-16-30-24(28)29;;/h1-8,22-23H,9-17H2;2*1H.

What are the key properties of 3-[2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride?

3-[2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride has a molecular weight of 482.43 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-[3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride is sourced from PubChem (CID 14208358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).