1-ethyl-1'-[4-(4-fluorophenyl)-4-hydroxybutyl]spiro[indole-3,4'-piperidine]-2-one

C24H29FN2O2 — CID 70592105

IUPAC1-ethyl-1'-[4-(4-fluorophenyl)-4-hydroxybutyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCCN1C(=O)C2(CCN(CCCC(O)c3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C24H29FN2O2/c1-2-27-21-7-4-3-6-20(21)24(23(27)29)13-16-26(17-14-24)15-5-8-22(28)18-9-11-19(25)12-10-18/h3-4,6-7,9-12,22,28H,2,5,8,13-17H2,1H3
InChIKeySDMFQXUZACPOEB-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.04
Rot. Bonds6

About 1-ethyl-1'-[4-(4-fluorophenyl)-4-hydroxybutyl]spiro[indole-3,4'-piperidine]-2-one

1-ethyl-1'-[4-(4-fluorophenyl)-4-hydroxybutyl]spiro[indole-3,4'-piperidine]-2-one (PubChem CID 70592105) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is 1-ethyl-1'-[4-(4-fluorophenyl)-4-hydroxybutyl]spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-ethyl-1'-[4-(4-fluorophenyl)-4-hydroxybutyl]spiro[indole-3,4'-piperidine]-2-one
PubChem CID70592105
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC Name1-ethyl-1'-[4-(4-fluorophenyl)-4-hydroxybutyl]spiro[indole-3,4'-piperidine]-2-one
SMILESCCN1C(=O)C2(CCN(CCCC(O)c3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C24H29FN2O2/c1-2-27-21-7-4-3-6-20(21)24(23(27)29)13-16-26(17-14-24)15-5-8-22(28)18-9-11-19(25)12-10-18/h3-4,6-7,9-12,22,28H,2,5,8,13-17H2,1H3
InChIKeySDMFQXUZACPOEB-UHFFFAOYSA-N
XLogP4.04
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-1'-[4-(4-fluorophenyl)-4-hydroxybutyl]spiro[indole-3,4'-piperidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1'-[4-(4-fluorophenyl)-4-hydroxybutyl]spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-ethyl-1'-[4-(4-fluorophenyl)-4-hydroxybutyl]spiro[indole-3,4'-piperidine]-2-one (CID 70592105) is 1-ethyl-1'-[4-(4-fluorophenyl)-4-hydroxybutyl]spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-ethyl-1'-[4-(4-fluorophenyl)-4-hydroxybutyl]spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-ethyl-1'-[4-(4-fluorophenyl)-4-hydroxybutyl]spiro[indole-3,4'-piperidine]-2-one is CCN1C(=O)C2(CCN(CCCC(O)c3ccc(F)cc3)CC2)c2ccccc21.
What is the InChIKey of 1-ethyl-1'-[4-(4-fluorophenyl)-4-hydroxybutyl]spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is SDMFQXUZACPOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c1-2-27-21-7-4-3-6-20(21)24(23(27)29)13-16-26(17-14-24)15-5-8-22(28)18-9-11-19(25)12-10-18/h3-4,6-7,9-12,22,28H,2,5,8,13-17H2,1H3.
What are the key properties of 1-ethyl-1'-[4-(4-fluorophenyl)-4-hydroxybutyl]spiro[indole-3,4'-piperidine]-2-one?
1-ethyl-1'-[4-(4-fluorophenyl)-4-hydroxybutyl]spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 396.51 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1'-[4-(4-fluorophenyl)-4-hydroxybutyl]spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 70592105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).