2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide

C14H19BrN2O — CID 83749686

IUPAC2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide
SMILESCN(C(=O)Cc1ccccc1Br)C1CCNCC1
InChIInChI=1S/C14H19BrN2O/c1-17(12-6-8-16-9-7-12)14(18)10-11-4-2-3-5-13(11)15/h2-5,12,16H,6-10H2,1H3
InChIKeyNIWZDKBGOVORDB-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.20
Rot. Bonds3

About 2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide

2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide (PubChem CID 83749686) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide
PubChem CID83749686
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide
SMILESCN(C(=O)Cc1ccccc1Br)C1CCNCC1
InChIInChI=1S/C14H19BrN2O/c1-17(12-6-8-16-9-7-12)14(18)10-11-4-2-3-5-13(11)15/h2-5,12,16H,6-10H2,1H3
InChIKeyNIWZDKBGOVORDB-UHFFFAOYSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(2-methylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260686
N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119912776
N-methyl-2-(4-phenylphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119441133
2-(2-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119553666
2-(2,6-dichlorophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 119444226
N-methyl-2-naphthalen-2-yl-N-piperidin-4-ylacetamide
CID 43602192
2-(2-bromo-4,5-diethoxyphenyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441604
2-(2-ethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119441590
N-methyl-N-piperidin-4-yl-2-pyridin-4-ylacetamide
CID 43602089
N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11595006
2-(2-bromo-4-nitrophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119551744
2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 84606471

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide?
The IUPAC name of 2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide (CID 83749686) is 2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide is CN(C(=O)Cc1ccccc1Br)C1CCNCC1.
What is the InChIKey of 2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide?
The InChIKey is NIWZDKBGOVORDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-17(12-6-8-16-9-7-12)14(18)10-11-4-2-3-5-13(11)15/h2-5,12,16H,6-10H2,1H3.
What are the key properties of 2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide?
2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide has a molecular weight of 311.22 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide is sourced from PubChem (CID 83749686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).