2-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

C21H27F2N3O2 — CID 163354238

IUPAC2-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(C1CCCN(CC(=O)N2CCc3ccccc32)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C21H27F2N3O2/c22-21(23)8-12-25(13-9-21)20(28)17-5-3-10-24(14-17)15-19(27)26-11-7-16-4-1-2-6-18(16)26/h1-2,4,6,17H,3,5,7-15H2
InChIKeyJLLGSVYJEHSINH-UHFFFAOYSA-N
MW391.46 g/mol
LogP2.55
Rot. Bonds3

About 2-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

2-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 163354238) has the molecular formula C21H27F2N3O2 and a molecular weight of 391.46 g/mol. Its IUPAC name is 2-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID163354238
Molecular FormulaC21H27F2N3O2
Molecular Weight391.46 g/mol
Exact Mass391.21
IUPAC Name2-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(C1CCCN(CC(=O)N2CCc3ccccc32)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C21H27F2N3O2/c22-21(23)8-12-25(13-9-21)20(28)17-5-3-10-24(14-17)15-19(27)26-11-7-16-4-1-2-6-18(16)26/h1-2,4,6,17H,3,5,7-15H2
InChIKeyJLLGSVYJEHSINH-UHFFFAOYSA-N
XLogP2.55
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone with MolForge

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Related Compounds

[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163357971
1-(2,3-dihydroindol-1-yl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 61204032
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 60645184
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665056
1-(2,3-dihydroindol-1-yl)-2-[4-(3-methylcyclobutanecarbonyl)piperazin-1-yl]ethanone
CID 75361771
2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926284
2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926283
2-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 47058306
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
2-[(3R)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119905160
1-(2,3-dihydroindol-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 55064419
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119933655

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone (CID 163354238) is 2-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone is O=C(C1CCCN(CC(=O)N2CCc3ccccc32)C1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is JLLGSVYJEHSINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2N3O2/c22-21(23)8-12-25(13-9-21)20(28)17-5-3-10-24(14-17)15-19(27)26-11-7-16-4-1-2-6-18(16)26/h1-2,4,6,17H,3,5,7-15H2.
What are the key properties of 2-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
2-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 391.46 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 163354238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).