(3R)-1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidine-3-carboxylic acid

C15H14BrFN2O3 — CID 125132752

IUPAC(3R)-1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2cc3c(F)cc(Br)cc3[nH]2)C1
InChIInChI=1S/C15H14BrFN2O3/c16-9-4-11(17)10-6-13(18-12(10)5-9)14(20)19-3-1-2-8(7-19)15(21)22/h4-6,8,18H,1-3,7H2,(H,21,22)/t8-/m1/s1
InChIKeyQRAKTBQMILXQER-MRVPVSSYSA-N
MW369.19 g/mol
LogP3.01
Rot. Bonds2

About (3R)-1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 125132752) has the molecular formula C15H14BrFN2O3 and a molecular weight of 369.19 g/mol. Its IUPAC name is (3R)-1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID125132752
Molecular FormulaC15H14BrFN2O3
Molecular Weight369.19 g/mol
Exact Mass368.02
IUPAC Name(3R)-1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2cc3c(F)cc(Br)cc3[nH]2)C1
InChIInChI=1S/C15H14BrFN2O3/c16-9-4-11(17)10-6-13(18-12(10)5-9)14(20)19-3-1-2-8(7-19)15(21)22/h4-6,8,18H,1-3,7H2,(H,21,22)/t8-/m1/s1
InChIKeyQRAKTBQMILXQER-MRVPVSSYSA-N
XLogP3.01
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.19
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(5-bromo-1H-indole-2-carbonyl)piperidine-3-carboxylic acid
CID 119113659
1-[1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 86882605
(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone
CID 136547926
1-(5-bromo-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 24710129
1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259214
(3R)-1-[(2,4,6-tribromophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81127096
(3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 119174191
(3S)-1-(4-bromo-2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 94917320
1-[(2-bromo-4,6-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43347865
(3R)-1-(2-fluoro-5-methylbenzoyl)piperidine-3-carboxylic acid
CID 81119715
(3S)-1-(3-bromo-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 107949380
(4-fluoro-1H-indol-2-yl)-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 134003167

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidine-3-carboxylic acid (CID 125132752) is (3R)-1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)c2cc3c(F)cc(Br)cc3[nH]2)C1.
What is the InChIKey of (3R)-1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is QRAKTBQMILXQER-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H14BrFN2O3/c16-9-4-11(17)10-6-13(18-12(10)5-9)14(20)19-3-1-2-8(7-19)15(21)22/h4-6,8,18H,1-3,7H2,(H,21,22)/t8-/m1/s1.
What are the key properties of (3R)-1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 369.19 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-bromo-4-fluoro-1H-indole-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 125132752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).