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

C23H27F2N3O — CID 22038010

IUPACN-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3F)CC1)CC2
InChIInChI=1S/C23H27F2N3O/c1-16(29)26-20-5-3-18-7-13-28(23(18)15-20)21-8-11-27(12-9-21)10-6-17-2-4-19(24)14-22(17)25/h2-5,14-15,21H,6-13H2,1H3,(H,26,29)
InChIKeyZTDDWGPUXXITDO-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.99
Rot. Bonds5

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

N-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetamide (PubChem CID 22038010) has the molecular formula C23H27F2N3O and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetamide
PubChem CID22038010
Molecular FormulaC23H27F2N3O
Molecular Weight399.49 g/mol
Exact Mass399.21
IUPAC NameN-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3F)CC1)CC2
InChIInChI=1S/C23H27F2N3O/c1-16(29)26-20-5-3-18-7-13-28(23(18)15-20)21-8-11-27(12-9-21)10-6-17-2-4-19(24)14-22(17)25/h2-5,14-15,21H,6-13H2,1H3,(H,26,29)
InChIKeyZTDDWGPUXXITDO-UHFFFAOYSA-N
XLogP3.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclohexyl-2,3-dihydroindol-6-yl)acetamide
CID 142743455
2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide
CID 22038241
6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole
CID 22038365
1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]oxy]ethanol
CID 22038243
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-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-pyrrol-1-ylmethanone
CID 22037988
1-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-6-methoxy-2,3-dihydroindole
CID 22038156
N-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-fluorobenzenesulfonamide
CID 174406027
2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetonitrile
CID 22038126
N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyimino-2-methyl-2H-indol-6-yl]acetamide
CID 87903544
1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole
CID 22037972

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetamide?
The IUPAC name of N-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetamide (CID 22038010) is N-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetamide.
What is the SMILES notation for N-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetamide?
The canonical SMILES for N-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetamide is CC(=O)Nc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3F)CC1)CC2.
What is the InChIKey of N-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetamide?
The InChIKey is ZTDDWGPUXXITDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O/c1-16(29)26-20-5-3-18-7-13-28(23(18)15-20)21-8-11-27(12-9-21)10-6-17-2-4-19(24)14-22(17)25/h2-5,14-15,21H,6-13H2,1H3,(H,26,29).
What are the key properties of N-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetamide?
N-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetamide has a molecular weight of 399.49 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetamide is sourced from PubChem (CID 22038010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).