(3S)-1-(6-fluoro-2,3-dihydroindole-1-carbonyl)piperidine-3-carboxylic acid

C15H17FN2O3 — CID 103499981

IUPAC(3S)-1-(6-fluoro-2,3-dihydroindole-1-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)N2CCc3ccc(F)cc32)C1
InChIInChI=1S/C15H17FN2O3/c16-12-4-3-10-5-7-18(13(10)8-12)15(21)17-6-1-2-11(9-17)14(19)20/h3-4,8,11H,1-2,5-7,9H2,(H,19,20)/t11-/m0/s1
InChIKeySVLXWBJNAKPNAD-NSHDSACASA-N
MW292.31 g/mol
LogP2.10
Rot. Bonds1

About (3S)-1-(6-fluoro-2,3-dihydroindole-1-carbonyl)piperidine-3-carboxylic acid

(3S)-1-(6-fluoro-2,3-dihydroindole-1-carbonyl)piperidine-3-carboxylic acid (PubChem CID 103499981) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is (3S)-1-(6-fluoro-2,3-dihydroindole-1-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(6-fluoro-2,3-dihydroindole-1-carbonyl)piperidine-3-carboxylic acid
PubChem CID103499981
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name(3S)-1-(6-fluoro-2,3-dihydroindole-1-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)N2CCc3ccc(F)cc32)C1
InChIInChI=1S/C15H17FN2O3/c16-12-4-3-10-5-7-18(13(10)8-12)15(21)17-6-1-2-11(9-17)14(19)20/h3-4,8,11H,1-2,5-7,9H2,(H,19,20)/t11-/m0/s1
InChIKeySVLXWBJNAKPNAD-NSHDSACASA-N
XLogP2.10
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-fluoro-2,3-dihydroindol-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 103494882
3-(6-fluoro-2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxylic acid
CID 103953312
2-[1-(6-fluoro-2,3-dihydroindole-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 103499932
1-(2,5-difluorophenyl)piperidine-3-carboxylic acid
CID 82537830
1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 103500021
(2-aminocycloheptyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103810197
(6-fluoro-2,3-dihydroindol-1-yl)-pyrrolidin-2-ylmethanone
CID 113235710
1-[(2-bromo-4-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318584
(3S)-1-[2-(2,5-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 98024202
(3S)-1-[2-(2,4-difluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 81120918
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
1-[3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propanoyl]piperidine-3-carboxylic acid
CID 119033231

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-fluoro-2,3-dihydroindole-1-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(6-fluoro-2,3-dihydroindole-1-carbonyl)piperidine-3-carboxylic acid (CID 103499981) is (3S)-1-(6-fluoro-2,3-dihydroindole-1-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(6-fluoro-2,3-dihydroindole-1-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(6-fluoro-2,3-dihydroindole-1-carbonyl)piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)N2CCc3ccc(F)cc32)C1.
What is the InChIKey of (3S)-1-(6-fluoro-2,3-dihydroindole-1-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is SVLXWBJNAKPNAD-NSHDSACASA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-12-4-3-10-5-7-18(13(10)8-12)15(21)17-6-1-2-11(9-17)14(19)20/h3-4,8,11H,1-2,5-7,9H2,(H,19,20)/t11-/m0/s1.
What are the key properties of (3S)-1-(6-fluoro-2,3-dihydroindole-1-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(6-fluoro-2,3-dihydroindole-1-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 292.31 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-fluoro-2,3-dihydroindole-1-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 103499981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).