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

C15H14BrN3O2 — CID 125135862

IUPAC(2S)-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-/m0/s1
InChIKeyNUFYHMMTSLNONL-NSHDSACASA-N
MW348.20 g/mol
LogP2.60
Rot. Bonds2

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

(2S)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide (PubChem CID 125135862) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is (2S)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide
PubChem CID125135862
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name(2S)-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-/m0/s1
InChIKeyNUFYHMMTSLNONL-NSHDSACASA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide?
The IUPAC name of (2S)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide (CID 125135862) is (2S)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide?
The canonical SMILES for (2S)-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 (2S)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide?
The InChIKey is NUFYHMMTSLNONL-NSHDSACASA-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-/m0/s1.
What are the key properties of (2S)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide?
(2S)-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 (2S)-N-(8-bromoquinolin-2-yl)-6-oxopiperidine-2-carboxamide is sourced from PubChem (CID 125135862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).