1-[5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone

C22H26FN3O2 — CID 20866262

IUPAC1-[5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(O)CN3CCN(c4ccc(F)cc4)CC3)ccc21
InChIInChI=1S/C22H26FN3O2/c1-16(27)26-9-8-17-14-18(2-7-21(17)26)22(28)15-24-10-12-25(13-11-24)20-5-3-19(23)4-6-20/h2-7,14,22,28H,8-13,15H2,1H3
InChIKeyPMUSJMXZZKNMNT-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.59
Rot. Bonds4

About 1-[5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone

1-[5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 20866262) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID20866262
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name1-[5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(O)CN3CCN(c4ccc(F)cc4)CC3)ccc21
InChIInChI=1S/C22H26FN3O2/c1-16(27)26-9-8-17-14-18(2-7-21(17)26)22(28)15-24-10-12-25(13-11-24)20-5-3-19(23)4-6-20/h2-7,14,22,28H,8-13,15H2,1H3
InChIKeyPMUSJMXZZKNMNT-UHFFFAOYSA-N
XLogP2.59
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone (CID 20866262) is 1-[5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(C(O)CN3CCN(c4ccc(F)cc4)CC3)ccc21.
What is the InChIKey of 1-[5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is PMUSJMXZZKNMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-16(27)26-9-8-17-14-18(2-7-21(17)26)22(28)15-24-10-12-25(13-11-24)20-5-3-19(23)4-6-20/h2-7,14,22,28H,8-13,15H2,1H3.
What are the key properties of 1-[5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 383.47 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1-hydroxyethyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 20866262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).