1'-(3-fluorophenyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

C23H23FN2O4 — CID 91308534

IUPAC1'-(3-fluorophenyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C(c1ccc2c(c1)C1(OCCCO1)C(=O)N2c1cccc(F)c1)N1CCCCC1
InChIInChI=1S/C23H23FN2O4/c24-17-6-4-7-18(15-17)26-20-9-8-16(21(27)25-10-2-1-3-11-25)14-19(20)23(22(26)28)29-12-5-13-30-23/h4,6-9,14-15H,1-3,5,10-13H2
InChIKeyVKAYRRYVKDUOHG-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.72
Rot. Bonds2

About 1'-(3-fluorophenyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one

1'-(3-fluorophenyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 91308534) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is 1'-(3-fluorophenyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(3-fluorophenyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID91308534
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC Name1'-(3-fluorophenyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C(c1ccc2c(c1)C1(OCCCO1)C(=O)N2c1cccc(F)c1)N1CCCCC1
InChIInChI=1S/C23H23FN2O4/c24-17-6-4-7-18(15-17)26-20-9-8-16(21(27)25-10-2-1-3-11-25)14-19(20)23(22(26)28)29-12-5-13-30-23/h4,6-9,14-15H,1-3,5,10-13H2
InChIKeyVKAYRRYVKDUOHG-UHFFFAOYSA-N
XLogP3.72
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-fluorophenyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-(3-fluorophenyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 91308534) is 1'-(3-fluorophenyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-(3-fluorophenyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-(3-fluorophenyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is O=C(c1ccc2c(c1)C1(OCCCO1)C(=O)N2c1cccc(F)c1)N1CCCCC1.
What is the InChIKey of 1'-(3-fluorophenyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is VKAYRRYVKDUOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4/c24-17-6-4-7-18(15-17)26-20-9-8-16(21(27)25-10-2-1-3-11-25)14-19(20)23(22(26)28)29-12-5-13-30-23/h4,6-9,14-15H,1-3,5,10-13H2.
What are the key properties of 1'-(3-fluorophenyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-(3-fluorophenyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 410.45 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-fluorophenyl)-5'-(piperidine-1-carbonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 91308534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).