2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide

C15H21BrN2O — CID 84606471

IUPAC2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide
SMILESCN(CC1CCCNC1)C(=O)Cc1ccccc1Br
InChIInChI=1S/C15H21BrN2O/c1-18(11-12-5-4-8-17-10-12)15(19)9-13-6-2-3-7-14(13)16/h2-3,6-7,12,17H,4-5,8-11H2,1H3
InChIKeyCWFDEDXCCSZBON-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.45
Rot. Bonds4

About 2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide

2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide (PubChem CID 84606471) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide
PubChem CID84606471
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide
SMILESCN(CC1CCCNC1)C(=O)Cc1ccccc1Br
InChIInChI=1S/C15H21BrN2O/c1-18(11-12-5-4-8-17-10-12)15(19)9-13-6-2-3-7-14(13)16/h2-3,6-7,12,17H,4-5,8-11H2,1H3
InChIKeyCWFDEDXCCSZBON-UHFFFAOYSA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106628910
2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 107983274
2-(dimethylamino)-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 106627954
2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627953
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298
2-(2-hydroxyphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106629125
N-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide
CID 106627592
2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 83749686
benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate
CID 96555658
4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627732
2-fluoro-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627734
3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628507

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide (CID 84606471) is 2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide is CN(CC1CCCNC1)C(=O)Cc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide?
The InChIKey is CWFDEDXCCSZBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-18(11-12-5-4-8-17-10-12)15(19)9-13-6-2-3-7-14(13)16/h2-3,6-7,12,17H,4-5,8-11H2,1H3.
What are the key properties of 2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide?
2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide has a molecular weight of 325.25 g/mol, XLogP of 2.45, 4 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-3-ylmethyl)acetamide is sourced from PubChem (CID 84606471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).