2-(3-amino-4-methylpiperidin-1-yl)-6-bromobenzamide

C13H18BrN3O — CID 114884842

IUPAC2-(3-amino-4-methylpiperidin-1-yl)-6-bromobenzamide
SMILESCC1CCN(c2cccc(Br)c2C(N)=O)CC1N
InChIInChI=1S/C13H18BrN3O/c1-8-5-6-17(7-10(8)15)11-4-2-3-9(14)12(11)13(16)18/h2-4,8,10H,5-7,15H2,1H3,(H2,16,18)
InChIKeyHZRUMPUEQHKAMY-UHFFFAOYSA-N
MW312.21 g/mol
LogP1.72
Rot. Bonds2

About 2-(3-amino-4-methylpiperidin-1-yl)-6-bromobenzamide

2-(3-amino-4-methylpiperidin-1-yl)-6-bromobenzamide (PubChem CID 114884842) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-(3-amino-4-methylpiperidin-1-yl)-6-bromobenzamide.

Molecular Properties

Compound Name2-(3-amino-4-methylpiperidin-1-yl)-6-bromobenzamide
PubChem CID114884842
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name2-(3-amino-4-methylpiperidin-1-yl)-6-bromobenzamide
SMILESCC1CCN(c2cccc(Br)c2C(N)=O)CC1N
InChIInChI=1S/C13H18BrN3O/c1-8-5-6-17(7-10(8)15)11-4-2-3-9(14)12(11)13(16)18/h2-4,8,10H,5-7,15H2,1H3,(H2,16,18)
InChIKeyHZRUMPUEQHKAMY-UHFFFAOYSA-N
XLogP1.72
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-amino-4-methylpiperidin-1-yl)-3-bromobenzamide
CID 82809851
2-[4-(1-aminoethyl)piperidin-1-yl]-6-bromobenzamide
CID 114884814
2-(3-amino-4-methylpiperidin-1-yl)-5-bromobenzamide
CID 114894017
2-bromo-6-(3-methylpyrrolidin-1-yl)benzenecarbothioamide
CID 114882048
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-6-fluorobenzamide
CID 114961745
2-[1-(3-bromo-2-carbamoylphenyl)piperidin-4-yl]oxyacetic acid
CID 114880178
2-[1-(3-bromo-2-carbamoylphenyl)azetidin-3-yl]acetic acid
CID 114880202
1-[2-(aminomethyl)-3-bromophenyl]-3-methylpiperidin-4-ol
CID 114879806
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone
CID 115737432
2-bromo-6-(4-tert-butylpiperidin-1-yl)benzoic acid
CID 114888088
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone;hydrochloride
CID 119592569
2-bromo-6-(3-propylpyrrolidin-1-yl)benzenecarbothioamide
CID 114882699

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylpiperidin-1-yl)-6-bromobenzamide?
The IUPAC name of 2-(3-amino-4-methylpiperidin-1-yl)-6-bromobenzamide (CID 114884842) is 2-(3-amino-4-methylpiperidin-1-yl)-6-bromobenzamide.
What is the SMILES notation for 2-(3-amino-4-methylpiperidin-1-yl)-6-bromobenzamide?
The canonical SMILES for 2-(3-amino-4-methylpiperidin-1-yl)-6-bromobenzamide is CC1CCN(c2cccc(Br)c2C(N)=O)CC1N.
What is the InChIKey of 2-(3-amino-4-methylpiperidin-1-yl)-6-bromobenzamide?
The InChIKey is HZRUMPUEQHKAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-8-5-6-17(7-10(8)15)11-4-2-3-9(14)12(11)13(16)18/h2-4,8,10H,5-7,15H2,1H3,(H2,16,18).
What are the key properties of 2-(3-amino-4-methylpiperidin-1-yl)-6-bromobenzamide?
2-(3-amino-4-methylpiperidin-1-yl)-6-bromobenzamide has a molecular weight of 312.21 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methylpiperidin-1-yl)-6-bromobenzamide is sourced from PubChem (CID 114884842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).