(2R)-2-(6-bromo-1H-indol-3-yl)-2-piperidin-1-ylacetic acid

C15H17BrN2O2 — CID 42580822

IUPAC(2R)-2-(6-bromo-1H-indol-3-yl)-2-piperidin-1-ylacetic acid
SMILESO=C(O)[C@@H](c1c[nH]c2cc(Br)ccc12)N1CCCCC1
InChIInChI=1S/C15H17BrN2O2/c16-10-4-5-11-12(9-17-13(11)8-10)14(15(19)20)18-6-2-1-3-7-18/h4-5,8-9,14,17H,1-3,6-7H2,(H,19,20)/t14-/m1/s1
InChIKeyAWXJSIFJDILSQS-CQSZACIVSA-N
MW337.22 g/mol
LogP3.54
Rot. Bonds3

About (2R)-2-(6-bromo-1H-indol-3-yl)-2-piperidin-1-ylacetic acid

(2R)-2-(6-bromo-1H-indol-3-yl)-2-piperidin-1-ylacetic acid (PubChem CID 42580822) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is (2R)-2-(6-bromo-1H-indol-3-yl)-2-piperidin-1-ylacetic acid.

Molecular Properties

Compound Name(2R)-2-(6-bromo-1H-indol-3-yl)-2-piperidin-1-ylacetic acid
PubChem CID42580822
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name(2R)-2-(6-bromo-1H-indol-3-yl)-2-piperidin-1-ylacetic acid
SMILESO=C(O)[C@@H](c1c[nH]c2cc(Br)ccc12)N1CCCCC1
InChIInChI=1S/C15H17BrN2O2/c16-10-4-5-11-12(9-17-13(11)8-10)14(15(19)20)18-6-2-1-3-7-18/h4-5,8-9,14,17H,1-3,6-7H2,(H,19,20)/t14-/m1/s1
InChIKeyAWXJSIFJDILSQS-CQSZACIVSA-N
XLogP3.54
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-bromo-1H-indol-3-yl)-2-piperidin-1-ylacetic acid?
The IUPAC name of (2R)-2-(6-bromo-1H-indol-3-yl)-2-piperidin-1-ylacetic acid (CID 42580822) is (2R)-2-(6-bromo-1H-indol-3-yl)-2-piperidin-1-ylacetic acid.
What is the SMILES notation for (2R)-2-(6-bromo-1H-indol-3-yl)-2-piperidin-1-ylacetic acid?
The canonical SMILES for (2R)-2-(6-bromo-1H-indol-3-yl)-2-piperidin-1-ylacetic acid is O=C(O)[C@@H](c1c[nH]c2cc(Br)ccc12)N1CCCCC1.
What is the InChIKey of (2R)-2-(6-bromo-1H-indol-3-yl)-2-piperidin-1-ylacetic acid?
The InChIKey is AWXJSIFJDILSQS-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c16-10-4-5-11-12(9-17-13(11)8-10)14(15(19)20)18-6-2-1-3-7-18/h4-5,8-9,14,17H,1-3,6-7H2,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-(6-bromo-1H-indol-3-yl)-2-piperidin-1-ylacetic acid?
(2R)-2-(6-bromo-1H-indol-3-yl)-2-piperidin-1-ylacetic acid has a molecular weight of 337.22 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-bromo-1H-indol-3-yl)-2-piperidin-1-ylacetic acid is sourced from PubChem (CID 42580822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).