N-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide

C15H21BrN2O — CID 115160585

IUPACN-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide
SMILESCc1ccc(Br)cc1N(C)C(=O)CC1CCCNC1
InChIInChI=1S/C15H21BrN2O/c1-11-5-6-13(16)9-14(11)18(2)15(19)8-12-4-3-7-17-10-12/h5-6,9,12,17H,3-4,7-8,10H2,1-2H3
InChIKeyGXYWWKOFGSSPIC-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.11
Rot. Bonds3

About N-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide

N-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide (PubChem CID 115160585) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide
PubChem CID115160585
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide
SMILESCc1ccc(Br)cc1N(C)C(=O)CC1CCCNC1
InChIInChI=1S/C15H21BrN2O/c1-11-5-6-13(16)9-14(11)18(2)15(19)8-12-4-3-7-17-10-12/h5-6,9,12,17H,3-4,7-8,10H2,1-2H3
InChIKeyGXYWWKOFGSSPIC-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 115160149
N-(5-bromo-2-methylphenyl)-N-methyl-2-morpholin-2-ylacetamide
CID 115178201
N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide
CID 115160586
N-(4-bromo-2-methylphenyl)-2-cyclopentyl-N-methylacetamide
CID 60575142
N-methyl-N-(5-methylfuran-2-yl)-2-piperidin-3-ylacetamide
CID 115160587
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298
N-(4-bromo-2-chlorophenyl)-2-cyclopentyl-N-methylacetamide
CID 60575184
2-(5-bromo-2-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 115209713
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 65311677
N-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide
CID 115173041
1-(5-bromo-2-methylphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906846
5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
CID 106642759

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide (CID 115160585) is N-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide is Cc1ccc(Br)cc1N(C)C(=O)CC1CCCNC1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide?
The InChIKey is GXYWWKOFGSSPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11-5-6-13(16)9-14(11)18(2)15(19)8-12-4-3-7-17-10-12/h5-6,9,12,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide?
N-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide has a molecular weight of 325.25 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide is sourced from PubChem (CID 115160585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).