2-bromo-6-(piperidin-2-ylmethoxy)benzamide

C13H17BrN2O2 — CID 114887724

IUPAC2-bromo-6-(piperidin-2-ylmethoxy)benzamide
SMILESNC(=O)c1c(Br)cccc1OCC1CCCCN1
InChIInChI=1S/C13H17BrN2O2/c14-10-5-3-6-11(12(10)13(15)17)18-8-9-4-1-2-7-16-9/h3,5-6,9,16H,1-2,4,7-8H2,(H2,15,17)
InChIKeyVXTZJAPLVMBBRJ-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.07
Rot. Bonds4

About 2-bromo-6-(piperidin-2-ylmethoxy)benzamide

2-bromo-6-(piperidin-2-ylmethoxy)benzamide (PubChem CID 114887724) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-bromo-6-(piperidin-2-ylmethoxy)benzamide.

Molecular Properties

Compound Name2-bromo-6-(piperidin-2-ylmethoxy)benzamide
PubChem CID114887724
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-bromo-6-(piperidin-2-ylmethoxy)benzamide
SMILESNC(=O)c1c(Br)cccc1OCC1CCCCN1
InChIInChI=1S/C13H17BrN2O2/c14-10-5-3-6-11(12(10)13(15)17)18-8-9-4-1-2-7-16-9/h3,5-6,9,16H,1-2,4,7-8H2,(H2,15,17)
InChIKeyVXTZJAPLVMBBRJ-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-(pyrrolidin-2-ylmethylamino)benzamide
CID 114884757
2-bromo-6-(pyrrolidin-2-ylmethoxy)benzonitrile
CID 114887698
3-fluoro-4-(piperidin-2-ylmethoxy)benzamide
CID 62349426
2-bromo-6-[2-[(2S)-pyrrolidin-2-yl]ethylamino]benzamide
CID 104982752
2-[(2,3-dimethylphenoxy)methyl]piperidine
CID 43823216
6-amino-3-bromo-2-[[(2R)-pyrrolidin-2-yl]methoxy]benzoic acid
CID 141356109
[2-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]methanol
CID 102820156
2-(2,3-dihydro-1H-inden-4-yloxymethyl)piperidine;hydrochloride
CID 164888275
2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106619692
2-(1-benzofuran-7-yloxymethyl)piperidine
CID 84694616
2-[(3-chloro-2-nitrophenoxy)methyl]piperidine
CID 113459399
2-[(2-bromo-4-nitrophenoxy)methyl]piperidine
CID 62348467

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(piperidin-2-ylmethoxy)benzamide?
The IUPAC name of 2-bromo-6-(piperidin-2-ylmethoxy)benzamide (CID 114887724) is 2-bromo-6-(piperidin-2-ylmethoxy)benzamide.
What is the SMILES notation for 2-bromo-6-(piperidin-2-ylmethoxy)benzamide?
The canonical SMILES for 2-bromo-6-(piperidin-2-ylmethoxy)benzamide is NC(=O)c1c(Br)cccc1OCC1CCCCN1.
What is the InChIKey of 2-bromo-6-(piperidin-2-ylmethoxy)benzamide?
The InChIKey is VXTZJAPLVMBBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-10-5-3-6-11(12(10)13(15)17)18-8-9-4-1-2-7-16-9/h3,5-6,9,16H,1-2,4,7-8H2,(H2,15,17).
What are the key properties of 2-bromo-6-(piperidin-2-ylmethoxy)benzamide?
2-bromo-6-(piperidin-2-ylmethoxy)benzamide has a molecular weight of 313.19 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(piperidin-2-ylmethoxy)benzamide is sourced from PubChem (CID 114887724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).