5-fluoro-2-[2-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]ethyl]-2,3-dihydroinden-1-one

C25H28F2N2O2 — CID 10622347

IUPAC5-fluoro-2-[2-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]ethyl]-2,3-dihydroinden-1-one
SMILESO=C(CCCN1CCN(CCC2Cc3cc(F)ccc3C2=O)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H28F2N2O2/c26-21-5-3-18(4-6-21)24(30)2-1-10-28-12-14-29(15-13-28)11-9-19-16-20-17-22(27)7-8-23(20)25(19)31/h3-8,17,19H,1-2,9-16H2
InChIKeyFFJCVBWFDDSTLZ-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.99
Rot. Bonds8

About 5-fluoro-2-[2-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]ethyl]-2,3-dihydroinden-1-one

5-fluoro-2-[2-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]ethyl]-2,3-dihydroinden-1-one (PubChem CID 10622347) has the molecular formula C25H28F2N2O2 and a molecular weight of 426.51 g/mol. Its IUPAC name is 5-fluoro-2-[2-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]ethyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-fluoro-2-[2-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]ethyl]-2,3-dihydroinden-1-one
PubChem CID10622347
Molecular FormulaC25H28F2N2O2
Molecular Weight426.51 g/mol
Exact Mass426.21
IUPAC Name5-fluoro-2-[2-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]ethyl]-2,3-dihydroinden-1-one
SMILESO=C(CCCN1CCN(CCC2Cc3cc(F)ccc3C2=O)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H28F2N2O2/c26-21-5-3-18(4-6-21)24(30)2-1-10-28-12-14-29(15-13-28)11-9-19-16-20-17-22(27)7-8-23(20)25(19)31/h3-8,17,19H,1-2,9-16H2
InChIKeyFFJCVBWFDDSTLZ-UHFFFAOYSA-N
XLogP3.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]ethyl]-2,3-dihydroinden-1-one?
The IUPAC name of 5-fluoro-2-[2-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]ethyl]-2,3-dihydroinden-1-one (CID 10622347) is 5-fluoro-2-[2-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]ethyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-fluoro-2-[2-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]ethyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 5-fluoro-2-[2-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]ethyl]-2,3-dihydroinden-1-one is O=C(CCCN1CCN(CCC2Cc3cc(F)ccc3C2=O)CC1)c1ccc(F)cc1.
What is the InChIKey of 5-fluoro-2-[2-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]ethyl]-2,3-dihydroinden-1-one?
The InChIKey is FFJCVBWFDDSTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N2O2/c26-21-5-3-18(4-6-21)24(30)2-1-10-28-12-14-29(15-13-28)11-9-19-16-20-17-22(27)7-8-23(20)25(19)31/h3-8,17,19H,1-2,9-16H2.
What are the key properties of 5-fluoro-2-[2-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]ethyl]-2,3-dihydroinden-1-one?
5-fluoro-2-[2-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]ethyl]-2,3-dihydroinden-1-one has a molecular weight of 426.51 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]ethyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 10622347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).