1'-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

C22H24FN3O3 — CID 1153619

IUPAC1'-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(CN2CCN(c3ccccc3F)CC2)c2ccccc2C12OCCCO2
InChIInChI=1S/C22H24FN3O3/c23-18-7-2-4-9-20(18)25-12-10-24(11-13-25)16-26-19-8-3-1-6-17(19)22(21(26)27)28-14-5-15-29-22/h1-4,6-9H,5,10-16H2
InChIKeySFQOUYXJVOBFCJ-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.54
Rot. Bonds3

About 1'-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

1'-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 1153619) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 1'-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID1153619
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name1'-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(CN2CCN(c3ccccc3F)CC2)c2ccccc2C12OCCCO2
InChIInChI=1S/C22H24FN3O3/c23-18-7-2-4-9-20(18)25-12-10-24(11-13-25)16-26-19-8-3-1-6-17(19)22(21(26)27)28-14-5-15-29-22/h1-4,6-9H,5,10-16H2
InChIKeySFQOUYXJVOBFCJ-UHFFFAOYSA-N
XLogP2.54
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 1153619) is 1'-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is O=C1N(CN2CCN(c3ccccc3F)CC2)c2ccccc2C12OCCCO2.
What is the InChIKey of 1'-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is SFQOUYXJVOBFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c23-18-7-2-4-9-20(18)25-12-10-24(11-13-25)16-26-19-8-3-1-6-17(19)22(21(26)27)28-14-5-15-29-22/h1-4,6-9H,5,10-16H2.
What are the key properties of 1'-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 397.45 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 1153619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).