3-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide

C15H22BrN3O — CID 107873193

IUPAC3-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NC1CCN(C)CC1C
InChIInChI=1S/C15H22BrN3O/c1-9-8-19(3)5-4-14(9)18-15(20)12-6-11(16)7-13(17)10(12)2/h6-7,9,14H,4-5,8,17H2,1-3H3,(H,18,20)
InChIKeyZVJWELBPZYZTEB-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.41
Rot. Bonds2

About 3-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide

3-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide (PubChem CID 107873193) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide
PubChem CID107873193
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name3-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NC1CCN(C)CC1C
InChIInChI=1S/C15H22BrN3O/c1-9-8-19(3)5-4-14(9)18-15(20)12-6-11(16)7-13(17)10(12)2/h6-7,9,14H,4-5,8,17H2,1-3H3,(H,18,20)
InChIKeyZVJWELBPZYZTEB-UHFFFAOYSA-N
XLogP2.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide
CID 102706008
2-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)pyridine-3-carboxamide
CID 114505946
2-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
CID 115765983
3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 114011379
5-amino-N-(1,3-dimethylpiperidin-4-yl)-2-methylpyridine-3-carboxamide
CID 114502792
3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
CID 113247797
3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
CID 114502923
N-(1,3-dimethylpiperidin-4-yl)-2,3-dihydroxybenzamide
CID 114504406
2-amino-N-(1,3-dimethylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 105387679
N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide
CID 107036333
3-amino-5-bromo-2-methyl-N-(oxolan-3-yl)benzamide
CID 107872966
3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,6-difluorobenzamide
CID 114502840

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide (CID 107873193) is 3-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide is Cc1c(N)cc(Br)cc1C(=O)NC1CCN(C)CC1C.
What is the InChIKey of 3-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide?
The InChIKey is ZVJWELBPZYZTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-9-8-19(3)5-4-14(9)18-15(20)12-6-11(16)7-13(17)10(12)2/h6-7,9,14H,4-5,8,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide?
3-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide has a molecular weight of 340.27 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-methylbenzamide is sourced from PubChem (CID 107873193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).