(4,4-difluoropiperidin-1-yl)-[5-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-1H-indol-2-yl]methanone

C23H31F2N3O2 — CID 69283237

IUPAC(4,4-difluoropiperidin-1-yl)-[5-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-1H-indol-2-yl]methanone
SMILESCC1CCC(C)N1CCCOc1ccc2[nH]c(C(=O)N3CCC(F)(F)CC3)cc2c1
InChIInChI=1S/C23H31F2N3O2/c1-16-4-5-17(2)28(16)10-3-13-30-19-6-7-20-18(14-19)15-21(26-20)22(29)27-11-8-23(24,25)9-12-27/h6-7,14-17,26H,3-5,8-13H2,1-2H3
InChIKeyWVTZFMXFRCQYBM-UHFFFAOYSA-N
MW419.52 g/mol
LogP4.68
Rot. Bonds6

About (4,4-difluoropiperidin-1-yl)-[5-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-1H-indol-2-yl]methanone

(4,4-difluoropiperidin-1-yl)-[5-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-1H-indol-2-yl]methanone (PubChem CID 69283237) has the molecular formula C23H31F2N3O2 and a molecular weight of 419.52 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[5-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[5-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-1H-indol-2-yl]methanone
PubChem CID69283237
Molecular FormulaC23H31F2N3O2
Molecular Weight419.52 g/mol
Exact Mass419.24
IUPAC Name(4,4-difluoropiperidin-1-yl)-[5-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-1H-indol-2-yl]methanone
SMILESCC1CCC(C)N1CCCOc1ccc2[nH]c(C(=O)N3CCC(F)(F)CC3)cc2c1
InChIInChI=1S/C23H31F2N3O2/c1-16-4-5-17(2)28(16)10-3-13-30-19-6-7-20-18(14-19)15-21(26-20)22(29)27-11-8-23(24,25)9-12-27/h6-7,14-17,26H,3-5,8-13H2,1-2H3
InChIKeyWVTZFMXFRCQYBM-UHFFFAOYSA-N
XLogP4.68
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4,4-difluoropiperidin-1-yl)-[5-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-1H-indol-2-yl]methanone 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 (4,4-difluoropiperidin-1-yl)-[5-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-1H-indol-2-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[5-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-1H-indol-2-yl]methanone (CID 69283237) is (4,4-difluoropiperidin-1-yl)-[5-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-1H-indol-2-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[5-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-1H-indol-2-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[5-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-1H-indol-2-yl]methanone is CC1CCC(C)N1CCCOc1ccc2[nH]c(C(=O)N3CCC(F)(F)CC3)cc2c1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[5-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-1H-indol-2-yl]methanone?
The InChIKey is WVTZFMXFRCQYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F2N3O2/c1-16-4-5-17(2)28(16)10-3-13-30-19-6-7-20-18(14-19)15-21(26-20)22(29)27-11-8-23(24,25)9-12-27/h6-7,14-17,26H,3-5,8-13H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[5-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-1H-indol-2-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[5-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-1H-indol-2-yl]methanone has a molecular weight of 419.52 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[5-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-1H-indol-2-yl]methanone is sourced from PubChem (CID 69283237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).