4-(2,2-difluoroethyl)-1-(2,3-dihydroindole-1-carbonyl)piperidine-4-carboxylic acid

C17H20F2N2O3 — CID 166266296

IUPAC4-(2,2-difluoroethyl)-1-(2,3-dihydroindole-1-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(N1CCC(CC(F)F)(C(=O)O)CC1)N1CCc2ccccc21
InChIInChI=1S/C17H20F2N2O3/c18-14(19)11-17(15(22)23)6-9-20(10-7-17)16(24)21-8-5-12-3-1-2-4-13(12)21/h1-4,14H,5-11H2,(H,22,23)
InChIKeyFFTNQOHGMLDDTA-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.99
Rot. Bonds3

About 4-(2,2-difluoroethyl)-1-(2,3-dihydroindole-1-carbonyl)piperidine-4-carboxylic acid

4-(2,2-difluoroethyl)-1-(2,3-dihydroindole-1-carbonyl)piperidine-4-carboxylic acid (PubChem CID 166266296) has the molecular formula C17H20F2N2O3 and a molecular weight of 338.35 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-1-(2,3-dihydroindole-1-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-1-(2,3-dihydroindole-1-carbonyl)piperidine-4-carboxylic acid
PubChem CID166266296
Molecular FormulaC17H20F2N2O3
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC Name4-(2,2-difluoroethyl)-1-(2,3-dihydroindole-1-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(N1CCC(CC(F)F)(C(=O)O)CC1)N1CCc2ccccc21
InChIInChI=1S/C17H20F2N2O3/c18-14(19)11-17(15(22)23)6-9-20(10-7-17)16(24)21-8-5-12-3-1-2-4-13(12)21/h1-4,14H,5-11H2,(H,22,23)
InChIKeyFFTNQOHGMLDDTA-UHFFFAOYSA-N
XLogP2.99
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(N-[(1S)-3,3-difluorocyclohexyl]anilino)-2-oxoethyl]-1-(2,3-dihydroindole-1-carbonyl)piperidine-4-carboxylic acid
CID 170414125
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-phenylpiperidine-4-carbonitrile
CID 24852801
2,3-dihydroindol-1-yl-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methanone
CID 22390855
1-(2,3-dihydroindole-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597842
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2,3-dihydroindol-1-yl-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone
CID 22390830
methyl 1-(2,3-dihydroindole-1-carbonyl)-4-[2-(4-fluoro-N-(3-fluorophenyl)anilino)-2-oxoethyl]piperidine-4-carboxylate
CID 170355559
1-(5-fluoro-2,3-dihydroindole-1-carbonyl)-4-[2-[N-(oxan-4-yl)anilino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 170355545
4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperazine-1-carbaldehyde
CID 108988608
1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid
CID 28513192
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-1-(2,3-dihydroindole-1-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(2,2-difluoroethyl)-1-(2,3-dihydroindole-1-carbonyl)piperidine-4-carboxylic acid (CID 166266296) is 4-(2,2-difluoroethyl)-1-(2,3-dihydroindole-1-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2,2-difluoroethyl)-1-(2,3-dihydroindole-1-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2,2-difluoroethyl)-1-(2,3-dihydroindole-1-carbonyl)piperidine-4-carboxylic acid is O=C(N1CCC(CC(F)F)(C(=O)O)CC1)N1CCc2ccccc21.
What is the InChIKey of 4-(2,2-difluoroethyl)-1-(2,3-dihydroindole-1-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is FFTNQOHGMLDDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O3/c18-14(19)11-17(15(22)23)6-9-20(10-7-17)16(24)21-8-5-12-3-1-2-4-13(12)21/h1-4,14H,5-11H2,(H,22,23).
What are the key properties of 4-(2,2-difluoroethyl)-1-(2,3-dihydroindole-1-carbonyl)piperidine-4-carboxylic acid?
4-(2,2-difluoroethyl)-1-(2,3-dihydroindole-1-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 338.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-1-(2,3-dihydroindole-1-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 166266296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).