3-[2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride

C24H29Cl3FN3O2 — CID 73354163

IUPAC3-[2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1OCCN1CCN1CCN(C2CC(c3ccc(F)cc3)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C24H27ClFN3O2.2ClH/c25-18-3-6-20-22(15-18)21(17-1-4-19(26)5-2-17)16-23(20)28-10-7-27(8-11-28)9-12-29-13-14-31-24(29)30;;/h1-6,15,21,23H,7-14,16H2;2*1H
InChIKeyNBPOREIXFPLMGE-UHFFFAOYSA-N
MW516.87 g/mol
LogP4.97
Rot. Bonds5

About 3-[2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride

3-[2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride (PubChem CID 73354163) has the molecular formula C24H29Cl3FN3O2 and a molecular weight of 516.87 g/mol. Its IUPAC name is 3-[2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name3-[2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride
PubChem CID73354163
Molecular FormulaC24H29Cl3FN3O2
Molecular Weight516.87 g/mol
Exact Mass515.13
IUPAC Name3-[2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1OCCN1CCN1CCN(C2CC(c3ccc(F)cc3)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C24H27ClFN3O2.2ClH/c25-18-3-6-20-22(15-18)21(17-1-4-19(26)5-2-17)16-23(20)28-10-7-27(8-11-28)9-12-29-13-14-31-24(29)30;;/h1-6,15,21,23H,7-14,16H2;2*1H
InChIKeyNBPOREIXFPLMGE-UHFFFAOYSA-N
XLogP4.97
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.87
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride with MolForge

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Related Compounds

2-{9-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-6,9-diaza-spiro[4.5]dec-6-yl}-ethanol
CID 10574585
2-{4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-2,2-dimethyl-piperazin-1-yl}-ethanol
CID 10787324
2-[4-[6-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride
CID 10478808
2-{4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-piperazin-1-yl}-ethanol
CID 10478809
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
3-[3-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]propyl]-1,3-oxazolidin-2-one;dihydrochloride
CID 14208368
3-[2-[4-[6-fluoro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;hydrate;dihydrochloride
CID 52944195
2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride
CID 71457959
1-[2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]pyrrolidin-2-one;dihydrochloride
CID 73352655
2-{4-[5-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-piperazin-1-yl}-ethanol
CID 15653097
1-[2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
CID 9913230
2-[4-[(1R,3S)-6-chloro-3-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol;dihydrochloride
CID 13154820

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[5-chloro-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-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride (CID 73354163) is 3-[2-[4-[5-chloro-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-[5-chloro-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-[5-chloro-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)c3cc(Cl)ccc32)CC1.
What is the InChIKey of 3-[2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride?
The InChIKey is NBPOREIXFPLMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN3O2.2ClH/c25-18-3-6-20-22(15-18)21(17-1-4-19(26)5-2-17)16-23(20)28-10-7-27(8-11-28)9-12-29-13-14-31-24(29)30;;/h1-6,15,21,23H,7-14,16H2;2*1H.
What are the key properties of 3-[2-[4-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one;dihydrochloride?
3-[2-[4-[5-chloro-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 516.87 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[5-chloro-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 73354163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).