(2R)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide

C15H14BrN3O2 — CID 125135861

IUPAC(2R)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide
SMILESO=C1CCC[C@H](C(=O)Nc2ccc3cccc(Br)c3n2)N1
InChIInChI=1S/C15H14BrN3O2/c16-10-4-1-3-9-7-8-12(18-14(9)10)19-15(21)11-5-2-6-13(20)17-11/h1,3-4,7-8,11H,2,5-6H2,(H,17,20)(H,18,19,21)/t11-/m1/s1
InChIKeyNUFYHMMTSLNONL-LLVKDONJSA-N
MW348.20 g/mol
LogP2.60
Rot. Bonds2

About (2R)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide

(2R)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide (PubChem CID 125135861) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is (2R)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide
PubChem CID125135861
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name(2R)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide
SMILESO=C1CCC[C@H](C(=O)Nc2ccc3cccc(Br)c3n2)N1
InChIInChI=1S/C15H14BrN3O2/c16-10-4-1-3-9-7-8-12(18-14(9)10)19-15(21)11-5-2-6-13(20)17-11/h1,3-4,7-8,11H,2,5-6H2,(H,17,20)(H,18,19,21)/t11-/m1/s1
InChIKeyNUFYHMMTSLNONL-LLVKDONJSA-N
XLogP2.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide
CID 125135862
N-(6-bromo-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
CID 43520512
6-[(5-oxopyrrolidine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 55248158
(2R)-6-oxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidine-2-carboxamide
CID 125136030
[3-[(8-bromoquinolin-2-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133366766
(2S)-5-oxo-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 95133563
(2R)-6-oxo-N-(4-phenoxyphenyl)piperidine-2-carboxamide
CID 146122694
N-(6-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
CID 79946508
8-bromo-N-propan-2-ylquinolin-2-amine
CID 84639829
(2R)-N-[2-fluoro-6-(propan-2-ylamino)phenyl]-6-oxopiperidine-2-carboxamide
CID 146133455
(2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide
CID 125136193
(2S)-1-[(8-bromoquinolin-2-yl)amino]-3-methoxypropan-2-ol
CID 97062756

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2R)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide (CID 125135861) is (2R)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide is O=C1CCC[C@H](C(=O)Nc2ccc3cccc(Br)c3n2)N1.
What is the InChIKey of (2R)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide?
The InChIKey is NUFYHMMTSLNONL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c16-10-4-1-3-9-7-8-12(18-14(9)10)19-15(21)11-5-2-6-13(20)17-11/h1,3-4,7-8,11H,2,5-6H2,(H,17,20)(H,18,19,21)/t11-/m1/s1.
What are the key properties of (2R)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide?
(2R)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide has a molecular weight of 348.20 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 125135861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).