N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide

C14H17BrN2O2 — CID 110689876

IUPACN-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCCC2=O)c(Br)c1
InChIInChI=1S/C14H17BrN2O2/c1-10-5-6-12(11(15)8-10)16-13(18)9-17-7-3-2-4-14(17)19/h5-6,8H,2-4,7,9H2,1H3,(H,16,18)
InChIKeyVTBSPXKRXYUYNH-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.71
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide

N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 110689876) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID110689876
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCCC2=O)c(Br)c1
InChIInChI=1S/C14H17BrN2O2/c1-10-5-6-12(11(15)8-10)16-13(18)9-17-7-3-2-4-14(17)19/h5-6,8H,2-4,7,9H2,1H3,(H,16,18)
InChIKeyVTBSPXKRXYUYNH-UHFFFAOYSA-N
XLogP2.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 43376282
N-(4-chloro-2-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 86930614
N-(4-bromo-2-ethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 81003857
N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide
CID 47265912
N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 113255444
N-(4-fluoro-2-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78864389
N-(2-chloro-4-fluorophenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 4787566
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-(2-bromo-4-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690080
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78868578
N-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942430
N-(2-bromo-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923517

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide (CID 110689876) is N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide is Cc1ccc(NC(=O)CN2CCCCC2=O)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is VTBSPXKRXYUYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-10-5-6-12(11(15)8-10)16-13(18)9-17-7-3-2-4-14(17)19/h5-6,8H,2-4,7,9H2,1H3,(H,16,18).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide?
N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 325.21 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 110689876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).