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

C26H34FN3O — CID 22038292

IUPACN-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methyl]butanamide
SMILESCCCC(=O)NCc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C26H34FN3O/c1-2-3-26(31)28-19-21-4-7-22-11-17-30(25(22)18-21)24-12-15-29(16-13-24)14-10-20-5-8-23(27)9-6-20/h4-9,18,24H,2-3,10-17,19H2,1H3,(H,28,31)
InChIKeyHTDXIRBEHBWCKN-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.31
Rot. Bonds8

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

N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methyl]butanamide (PubChem CID 22038292) has the molecular formula C26H34FN3O and a molecular weight of 423.58 g/mol. Its IUPAC name is N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methyl]butanamide
PubChem CID22038292
Molecular FormulaC26H34FN3O
Molecular Weight423.58 g/mol
Exact Mass423.27
IUPAC NameN-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methyl]butanamide
SMILESCCCC(=O)NCc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C26H34FN3O/c1-2-3-26(31)28-19-21-4-7-22-11-17-30(25(22)18-21)24-12-15-29(16-13-24)14-10-20-5-8-23(27)9-6-20/h4-9,18,24H,2-3,10-17,19H2,1H3,(H,28,31)
InChIKeyHTDXIRBEHBWCKN-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide
CID 22038241
N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide
CID 22037940
N-[[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]methyl]acetamide
CID 174378639
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
3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide
CID 23377466
N-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetamide
CID 22038010
[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 N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methyl]butanamide?
The IUPAC name of N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methyl]butanamide (CID 22038292) is N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methyl]butanamide.
What is the SMILES notation for N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methyl]butanamide?
The canonical SMILES for N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methyl]butanamide is CCCC(=O)NCc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2.
What is the InChIKey of N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methyl]butanamide?
The InChIKey is HTDXIRBEHBWCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O/c1-2-3-26(31)28-19-21-4-7-22-11-17-30(25(22)18-21)24-12-15-29(16-13-24)14-10-20-5-8-23(27)9-6-20/h4-9,18,24H,2-3,10-17,19H2,1H3,(H,28,31).
What are the key properties of N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methyl]butanamide?
N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methyl]butanamide has a molecular weight of 423.58 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methyl]butanamide is sourced from PubChem (CID 22038292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).