(3R)-1-[2-(6-bromoindol-1-yl)acetyl]piperidine-3-carboxylic acid

C16H17BrN2O3 — CID 51972569

IUPAC(3R)-1-[2-(6-bromoindol-1-yl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)Cn2ccc3ccc(Br)cc32)C1
InChIInChI=1S/C16H17BrN2O3/c17-13-4-3-11-5-7-18(14(11)8-13)10-15(20)19-6-1-2-12(9-19)16(21)22/h3-5,7-8,12H,1-2,6,9-10H2,(H,21,22)/t12-/m1/s1
InChIKeyQOYAPMTXYLIBTE-GFCCVEGCSA-N
MW365.23 g/mol
LogP2.73
Rot. Bonds3

About (3R)-1-[2-(6-bromoindol-1-yl)acetyl]piperidine-3-carboxylic acid

(3R)-1-[2-(6-bromoindol-1-yl)acetyl]piperidine-3-carboxylic acid (PubChem CID 51972569) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is (3R)-1-[2-(6-bromoindol-1-yl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-(6-bromoindol-1-yl)acetyl]piperidine-3-carboxylic acid
PubChem CID51972569
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name(3R)-1-[2-(6-bromoindol-1-yl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)Cn2ccc3ccc(Br)cc32)C1
InChIInChI=1S/C16H17BrN2O3/c17-13-4-3-11-5-7-18(14(11)8-13)10-15(20)19-6-1-2-12(9-19)16(21)22/h3-5,7-8,12H,1-2,6,9-10H2,(H,21,22)/t12-/m1/s1
InChIKeyQOYAPMTXYLIBTE-GFCCVEGCSA-N
XLogP2.73
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(6-bromoindol-1-yl)ethanone
CID 116622080
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(6-bromoindol-1-yl)acetamide
CID 42506818
2-(6-bromoindol-1-yl)-1-[4-(1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 166361978
(3S)-1-[3-(4-bromophenyl)sulfanylpropanoyl]piperidine-3-carboxylic acid
CID 119174244
1-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]piperidine-3-carboxylic acid
CID 43239598
(3S)-1-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]piperidine-3-carboxylic acid
CID 81120263
(3R)-1-[2-(6-chloroindol-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 94467337
1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63030591
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436
2-(6-bromoindol-1-yl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 97266614
2-(6-bromoindol-1-yl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 97266615
1-[3-(4-bromophenoxy)propanoyl]piperidine-3-carboxylic acid
CID 43171031

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(6-bromoindol-1-yl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-(6-bromoindol-1-yl)acetyl]piperidine-3-carboxylic acid (CID 51972569) is (3R)-1-[2-(6-bromoindol-1-yl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-(6-bromoindol-1-yl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-(6-bromoindol-1-yl)acetyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)Cn2ccc3ccc(Br)cc32)C1.
What is the InChIKey of (3R)-1-[2-(6-bromoindol-1-yl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is QOYAPMTXYLIBTE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c17-13-4-3-11-5-7-18(14(11)8-13)10-15(20)19-6-1-2-12(9-19)16(21)22/h3-5,7-8,12H,1-2,6,9-10H2,(H,21,22)/t12-/m1/s1.
What are the key properties of (3R)-1-[2-(6-bromoindol-1-yl)acetyl]piperidine-3-carboxylic acid?
(3R)-1-[2-(6-bromoindol-1-yl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 365.23 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(6-bromoindol-1-yl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 51972569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).