N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide

C14H19BrN2O — CID 115160586

IUPACN-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide
SMILESCN(C(=O)CC1CCCNC1)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O/c1-17(13-6-2-5-12(15)9-13)14(18)8-11-4-3-7-16-10-11/h2,5-6,9,11,16H,3-4,7-8,10H2,1H3
InChIKeySWMYRIUOIVUVPG-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.80
Rot. Bonds3

About N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide

N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide (PubChem CID 115160586) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide
PubChem CID115160586
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide
SMILESCN(C(=O)CC1CCCNC1)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O/c1-17(13-6-2-5-12(15)9-13)14(18)8-11-4-3-7-16-10-11/h2,5-6,9,11,16H,3-4,7-8,10H2,1H3
InChIKeySWMYRIUOIVUVPG-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide
CID 115160585
1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea
CID 117371572
N-(3-bromo-4-methoxyphenyl)-N-methyl-2-pyrrolidin-3-ylacetamide
CID 115160313
N-methyl-N-(5-methylfuran-2-yl)-2-piperidin-3-ylacetamide
CID 115160587
N-(3-carbamothioylphenyl)-2-cyclopentyl-N-methylacetamide
CID 62971153
2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 75417754
N-(3-carbamothioylphenyl)-2-cyclohexyl-N-methylacetamide
CID 62971169
N-(3-bromophenyl)-N-methylmorpholine-2-carboxamide
CID 115177440
3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462406
N-(4-bromo-2-methylphenyl)-2-cyclopentyl-N-methylacetamide
CID 60575142
N-methyl-N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62674551
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide?
The IUPAC name of N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide (CID 115160586) is N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide.
What is the SMILES notation for N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide?
The canonical SMILES for N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide is CN(C(=O)CC1CCCNC1)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide?
The InChIKey is SWMYRIUOIVUVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-17(13-6-2-5-12(15)9-13)14(18)8-11-4-3-7-16-10-11/h2,5-6,9,11,16H,3-4,7-8,10H2,1H3.
What are the key properties of N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide?
N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide has a molecular weight of 311.22 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-methyl-2-piperidin-3-ylacetamide is sourced from PubChem (CID 115160586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).