N-[2-(3-bromo-2-methylphenyl)ethyl]-2-oxopiperidine-4-carboxamide

C15H19BrN2O2 — CID 138024430

IUPACN-[2-(3-bromo-2-methylphenyl)ethyl]-2-oxopiperidine-4-carboxamide
SMILESCc1c(Br)cccc1CCNC(=O)C1CCNC(=O)C1
InChIInChI=1S/C15H19BrN2O2/c1-10-11(3-2-4-13(10)16)5-8-18-15(20)12-6-7-17-14(19)9-12/h2-4,12H,5-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyVCTQYTJFGPUMAR-UHFFFAOYSA-N
MW339.23 g/mol
LogP1.94
Rot. Bonds4

About N-[2-(3-bromo-2-methylphenyl)ethyl]-2-oxopiperidine-4-carboxamide

N-[2-(3-bromo-2-methylphenyl)ethyl]-2-oxopiperidine-4-carboxamide (PubChem CID 138024430) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is N-[2-(3-bromo-2-methylphenyl)ethyl]-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-bromo-2-methylphenyl)ethyl]-2-oxopiperidine-4-carboxamide
PubChem CID138024430
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC NameN-[2-(3-bromo-2-methylphenyl)ethyl]-2-oxopiperidine-4-carboxamide
SMILESCc1c(Br)cccc1CCNC(=O)C1CCNC(=O)C1
InChIInChI=1S/C15H19BrN2O2/c1-10-11(3-2-4-13(10)16)5-8-18-15(20)12-6-7-17-14(19)9-12/h2-4,12H,5-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyVCTQYTJFGPUMAR-UHFFFAOYSA-N
XLogP1.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-2-oxopiperidine-4-carboxamide
CID 110682193
2-oxo-N-pentylpiperidine-4-carboxamide
CID 110682108
N-[2-(2-bromophenyl)ethyl]-4-oxocyclohexane-1-carboxamide
CID 115150493
N-[(3-bromo-2-methylphenyl)methyl]-4,6-dimethyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 166351398
N-[2-(ethylaminomethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 119440355
4-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 115150582
(4S)-N-[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]-2-oxopiperidine-4-carboxamide
CID 99834444
cis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 95287116
(2S,4S)-N-[2-(2,3-dichlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623938
(2S,4S)-N-[2-(2-bromo-5-chlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120639627
4-hydroxy-N-[2-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529250
N-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110478158

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromo-2-methylphenyl)ethyl]-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-[2-(3-bromo-2-methylphenyl)ethyl]-2-oxopiperidine-4-carboxamide (CID 138024430) is N-[2-(3-bromo-2-methylphenyl)ethyl]-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-bromo-2-methylphenyl)ethyl]-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-bromo-2-methylphenyl)ethyl]-2-oxopiperidine-4-carboxamide is Cc1c(Br)cccc1CCNC(=O)C1CCNC(=O)C1.
What is the InChIKey of N-[2-(3-bromo-2-methylphenyl)ethyl]-2-oxopiperidine-4-carboxamide?
The InChIKey is VCTQYTJFGPUMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-10-11(3-2-4-13(10)16)5-8-18-15(20)12-6-7-17-14(19)9-12/h2-4,12H,5-9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(3-bromo-2-methylphenyl)ethyl]-2-oxopiperidine-4-carboxamide?
N-[2-(3-bromo-2-methylphenyl)ethyl]-2-oxopiperidine-4-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromo-2-methylphenyl)ethyl]-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 138024430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).