2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide

C26H34FN3O — CID 22038241

IUPAC2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C26H34FN3O/c1-2-13-28-26(31)19-21-3-6-22-10-17-30(25(22)18-21)24-11-15-29(16-12-24)14-9-20-4-7-23(27)8-5-20/h3-8,18,24H,2,9-17,19H2,1H3,(H,28,31)
InChIKeyDRHLTPQDXNRFLM-UHFFFAOYSA-N
MW423.58 g/mol
LogP3.96
Rot. Bonds8

About 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide

2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide (PubChem CID 22038241) has the molecular formula C26H34FN3O and a molecular weight of 423.58 g/mol. Its IUPAC name is 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide
PubChem CID22038241
Molecular FormulaC26H34FN3O
Molecular Weight423.58 g/mol
Exact Mass423.27
IUPAC Name2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide
SMILESCCCNC(=O)Cc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C26H34FN3O/c1-2-13-28-26(31)19-21-3-6-22-10-17-30(25(22)18-21)24-11-15-29(16-12-24)14-9-20-4-7-23(27)8-5-20/h3-8,18,24H,2,9-17,19H2,1H3,(H,28,31)
InChIKeyDRHLTPQDXNRFLM-UHFFFAOYSA-N
XLogP3.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methyl]butanamide
CID 22038292
1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]ethanol
CID 22037899
1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]oxy]ethanol
CID 22038243
[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyrrol-1-ylmethanone
CID 22037988
N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methylsulfanylperoxy]methanamine
CID 23377505
1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole
CID 22038156
N-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetamide
CID 22038010
N-[[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]methyl]acetamide
CID 174378639
2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide
CID 22038327
6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole
CID 22038365
[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyridin-2-ylmethanol
CID 22037901
1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-6-(1-pyridin-2-ylethyl)-2,3-dihydroindole
CID 22038027

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide?
The IUPAC name of 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide (CID 22038241) is 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide.
What is the SMILES notation for 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide?
The canonical SMILES for 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide is CCCNC(=O)Cc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2.
What is the InChIKey of 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide?
The InChIKey is DRHLTPQDXNRFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O/c1-2-13-28-26(31)19-21-3-6-22-10-17-30(25(22)18-21)24-11-15-29(16-12-24)14-9-20-4-7-23(27)8-5-20/h3-8,18,24H,2,9-17,19H2,1H3,(H,28,31).
What are the key properties of 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide?
2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide has a molecular weight of 423.58 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide is sourced from PubChem (CID 22038241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).