N-(2-bromophenyl)-2-oxopiperidine-4-carboxamide

C12H13BrN2O2 — CID 110682193

IUPACN-(2-bromophenyl)-2-oxopiperidine-4-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2Br)CCN1
InChIInChI=1S/C12H13BrN2O2/c13-9-3-1-2-4-10(9)15-12(17)8-5-6-14-11(16)7-8/h1-4,8H,5-7H2,(H,14,16)(H,15,17)
InChIKeyXGCFLHGCNCJAGO-UHFFFAOYSA-N
MW297.15 g/mol
LogP1.91
Rot. Bonds2

About N-(2-bromophenyl)-2-oxopiperidine-4-carboxamide

N-(2-bromophenyl)-2-oxopiperidine-4-carboxamide (PubChem CID 110682193) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-oxopiperidine-4-carboxamide
PubChem CID110682193
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC NameN-(2-bromophenyl)-2-oxopiperidine-4-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2Br)CCN1
InChIInChI=1S/C12H13BrN2O2/c13-9-3-1-2-4-10(9)15-12(17)8-5-6-14-11(16)7-8/h1-4,8H,5-7H2,(H,14,16)(H,15,17)
InChIKeyXGCFLHGCNCJAGO-UHFFFAOYSA-N
XLogP1.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 110682205
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
N-[2-(ethylaminomethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 119440355
N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide
CID 110682146
N-(2-bromophenyl)-1-(piperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119314729
N-(2-bromophenyl)piperidine-2-carboxamide
CID 18071832
1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144612
(3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide
CID 94015109
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 110682207
N-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79260937
2-oxo-N-(1-phenylethyl)piperidine-4-carboxamide
CID 110682047
N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 2192347

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-oxopiperidine-4-carboxamide (CID 110682193) is N-(2-bromophenyl)-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-oxopiperidine-4-carboxamide is O=C1CC(C(=O)Nc2ccccc2Br)CCN1.
What is the InChIKey of N-(2-bromophenyl)-2-oxopiperidine-4-carboxamide?
The InChIKey is XGCFLHGCNCJAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c13-9-3-1-2-4-10(9)15-12(17)8-5-6-14-11(16)7-8/h1-4,8H,5-7H2,(H,14,16)(H,15,17).
What are the key properties of N-(2-bromophenyl)-2-oxopiperidine-4-carboxamide?
N-(2-bromophenyl)-2-oxopiperidine-4-carboxamide has a molecular weight of 297.15 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 110682193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).